 Entering Gaussian System, Link 0=g16
 Input=03_trispirononane_STD_B3LYPDBJ-def2TZVPDr.in
 Output=03_trispirononane_STD_B3LYPDBJ-def2TZVPDr.log
 AtFile(1): /user/pierpa/basis_sets/def2TZVPD.gbs
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               5253.2344745              0.95310527769D-02
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            S    8   1.00
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               5885.6618668              0.93943844255D-02
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                194.57803492             0.29004470954
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                 58.840299883           -0.11547027448
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            S    1   1.00
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                197.93040142             0.20076506686D-01
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            D    1   1.00
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            -Sc     0
            S    8   1.00
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              28723.8503630              0.17890329946D-02
               6537.0116490              0.92990401140D-02
               1850.3097171              0.37739438011D-01
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                216.17324766             0.28814821470
                 83.712517880            0.40517543099
                 32.908707189            0.20566019623
            S    4   1.00
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                 65.128920139           -0.11570158142
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                224.09699732             0.19742967060D-01
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            -Ti     0
            S    8   1.00
             211575.6902500              0.23318151011D-03
              31714.9450580              0.18079690851D-02
               7217.5476543              0.93984311352D-02
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            S    4   1.00
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            -V     0
            S    8   1.00
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              34828.8411700              0.17888178962D-02
               7926.5448691              0.92992490131D-02
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                262.32219631             0.28963508811
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                 40.064784617            0.21113610858
            S    4   1.00
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                280.23075192             0.19643454466D-01
                 89.643627137            0.90796949190D-01
                 33.242411253            0.25650768222
                 13.144514452            0.40815393750
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              38131.7970540              0.18142601800D-02
               8675.2930607              0.94363925721D-02
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                286.90021489             0.29489696029
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                309.25311441             0.19544041017D-01
                 98.996273963            0.90651794553D-01
                 36.756916451            0.25699279154
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            -Mn     0
            S    8   1.00
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              41550.7698900              0.17707650375D-02
               9455.9700152              0.92077209994D-02
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                312.98306420             0.28824392499
                121.44454051             0.41041600847
                 47.922598829            0.21372375145
            S    4   1.00
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                342.06551197             0.19369286864D-01
                109.58400891             0.90236108988D-01
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              10262.5163170              0.91927083490D-02
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                339.87832894             0.28818881468
                131.94425588             0.41126612677
                 52.111494077            0.21518583573
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                101.92332739            -0.11683089050
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                  6.8840675801           0.53601640182
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                375.38006499             0.19253154755D-01
                120.31816501             0.90021836536D-01
                 44.788749031            0.25798172356
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            S    8   1.00
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              48839.6364530              0.17499397533D-02
              11114.9373070              0.91003134097D-02
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                368.02508816             0.28598731649
                142.91229205             0.40908312004
                 56.482649209            0.21500145739
            S    4   1.00
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                409.91750438             0.19382999967D-01
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            ****
            -Ni     0
            S    8   1.00
             351535.7293500              0.22529386884D-03
              52695.8092830              0.17468616223D-02
              11992.4682930              0.90849992136D-02
               3394.5776689              0.36940748447D-01
               1105.3594585              0.12032819950
                397.14677769             0.28596715057
                154.27542974             0.40983020196
                 61.018723780            0.21620642851
            S    4   1.00
                384.45559739            -0.24651279268D-01
                119.04879199            -0.11658505277
                 19.137012223            0.54864126676
                  8.1526718562           0.52640051122
            S    2   1.00
                 12.579408642           -0.22797884293
                  2.0870866081           0.70703738215
            S    1   1.00
                  0.86432568555          1.0000000
            S    1   1.00
                  0.13283169217          1.0000000
            S    1   1.00
                  0.46845327726D-01      1.0000000
            P    6   1.00
               1883.0907486              0.23748258443D-02
                445.95155320             0.19289457172D-01
                143.08430815             0.90718211507D-01
                 53.372920722            0.26181414117
                 21.321919357            0.42309149832
                  8.6643561994           0.24641686015
            P    3   1.00
                 34.144255211           -0.29677129163D-01
                  4.7122455921           0.55616824096
                  1.8709231845           0.96357766460
            P    1   1.00
                  0.70370016267          1.0000000
            P    1   1.00
                  0.1465880              1.0000000
            P    1   1.00
                  0.36887339850D-01      1.0000000
            D    4   1.00
                 74.591603465            0.12077454672D-01
                 21.590632752            0.74637262154D-01
                  7.6246142580           0.23236775502
                  2.8632206762           0.39042651680
            D    1   1.00
                  1.0311063388            .39509498921
            D    1   1.00
                  0.33060760691           .21138769167
            D    1   1.00
                  0.1060000              1.0000000
            F    1   1.00
                  2.1740000              1.0000000
            ****
            -Cu     0
            S    8   1.00
             377518.7992300              0.22811766128D-03
              56589.9843110              0.17688035931D-02
              12878.7117060              0.91993460227D-02
               3645.3752143              0.37411016434D-01
               1187.0072945              0.12189873737
                426.46421902             0.28983900714
                165.70660164             0.41531872174
                 65.598942707            0.21905799287
            S    4   1.00
                414.41265811            -0.24682525053D-01
                128.32056039            -0.11716827406
                 20.622089750            0.55301315941
                  8.7821226045           0.52242718609
            S    2   1.00
                 13.741372006           -0.22736061821
                  2.2431246833           0.71761210873
            S    1   1.00
                  0.89370549079          1.0000000
            S    1   1.00
                  0.10836699534          1.0000000
            S    1   1.00
                  0.38806178058D-01      1.0000000
            P    6   1.00
               2034.7596692              0.23524822298D-02
                481.90468106             0.19134070751D-01
                154.67482963             0.90171105278D-01
                 57.740576969            0.26063284735
                 23.099052811            0.42093485770
                  9.3882478591           0.24344615121
            P    3   1.00
                 37.596171210           -0.28991094530D-01
                  5.1240690810           0.54919083831
                  2.0119996085           0.93793330488
            P    1   1.00
                  0.73860686002          1.0000000
            P    1   1.00
                  0.1550650              1.0000000
            P    1   1.00
                  0.34015997020D-01      1.0000000
            D    4   1.00
                 74.129460637            0.14363216676D-01
                 21.359842587            0.86628177096D-01
                  7.4995240537           0.25631430541
                  2.7601394169           0.40374062368
            D    1   1.00
                  0.95362061236           .39427042447
            D    1   1.00
                  0.28420862520           .23091146816
            D    1   1.00
                  0.0850000              1.0000000
            F    1   1.00
                  2.2330000              1.0000000
            ****
            -Zn     0
            S    8   1.00
             405924.3102800              0.22442017483D-03
              60846.9557350              0.17402086626D-02
              13847.3430920              0.90513339565D-02
               3919.6158551              0.36817341445D-01
               1276.3594167              0.12004850256
                458.67254435             0.28576057621
                178.28725246             0.41087462062
                 70.612192837            0.21816962456
            S    4   1.00
                443.88077950            -0.24934274984D-01
                137.55875267            -0.11817955766
                 22.268083479            0.55367318468
                  9.5217310606           0.52628934936
            S    2   1.00
                 14.874114065           -0.22929955254
                  2.4647517612           0.71135484742
            S    1   1.00
                  1.0113272238           1.0000000
            S    1   1.00
                  0.14919852089          1.0000000
            S    1   1.00
                  0.51441872981D-01      1.0000000
            P    6   1.00
               2205.3508534              0.23356240448D-02
                522.35300699             0.19031022634D-01
                167.73055542             0.89955758675D-01
                 62.670045373            0.26113248631
                 25.109749456            0.42348448173
                 10.225142681            0.24618926885
            P    3   1.00
                 40.713442521           -0.30029667592D-01
                  5.6247090696           0.55575254864
                  2.2279949116           0.95581013442
            P    1   1.00
                  0.83354741691          1.0000000
            P    1   1.00
                  0.1624550              1.0000000
            P    1   1.00
                  0.0477690              1.0000000
            P    1   1.00
                  0.21234841485D-01      1.0000000
            D    4   1.00
                 88.554315311            0.12728170015D-01
                 25.721525557            0.79394499843D-01
                  9.1278367624           0.24491506805
                  3.4312364064           0.40390526479
            D    1   1.00
                  1.2308920645            .40158491145
            D    1   1.00
                  0.39031845112           .21579805034
            D    1   1.00
                  0.1240000              1.0000000
            F    1   1.00
                  2.6140000              1.0000000
            ****
            -Ga     0
            S    8   1.00
             435548.6625400              0.23646329650D-03
              65289.5890310              0.18335271776D-02
              14858.7842560              0.95371863081D-02
               4205.9734729              0.38803412468D-01
               1369.6416431              0.12661604848
                492.30348905             0.30175310292
                191.41923233             0.43543934218
                 75.840558665            0.23282363780
            S    4   1.00
                474.30810613            -0.26743707958D-01
                147.10297560            -0.12654657542
                 23.982599435            0.58840346839
                 10.298230094            0.56324271589
            S    2   1.00
                 16.050381430           -0.24516439508
                  2.6988468784           0.74578049593
            S    1   1.00
                  1.1428588736           1.0000000
            S    1   1.00
                  0.20217652251          1.0000000
            S    1   1.00
                  0.71980152032D-01      1.0000000
            S    1   1.00
                  0.30102057284D-01      1.0000000
            P    6   1.00
               2432.0171070              0.22434065928D-02
                576.12049582             0.18342265336D-01
                185.11584354             0.87279697167D-01
                 69.246572556            0.25684868351
                 27.818107777            0.42398378107
                 11.420229938            0.25701340043
            P    3   1.00
                 42.819661530           -0.19326519119D-01
                  6.3885901000           0.31571386917
                  2.6698993326           0.57617792822
            P    1   1.00
                  1.0781783834           1.0000000
            P    1   1.00
                  0.22796559371          1.0000000
            P    1   1.00
                  0.62836234833D-01      1.0000000
            D    5   1.00
                103.92331829             0.11464613652D-01
                 30.371094389            0.73625747383D-01
                 10.872078097            0.23505107382
                  4.1549137954           0.40318563513
                  1.5345659145           0.40824748152
            D    1   1.00
                  0.51114263830           .20502439263
            D    1   1.00
                  0.30622000             1.0000000
            D    1   1.00
                  0.11391309             1.0000000
            D    1   1.00
                  0.42871691594D-01      1.0000000
            F    1   1.00
                  0.30996095             1.0000000
            ****
            -Ge     0
            S    8   1.00
             466115.0059200              0.22487264660D-03
              69875.4207620              0.17435426729D-02
              15903.2767160              0.90691482206D-02
               4501.8233453              0.36906174685D-01
               1466.0570924              0.12050167907
                527.07841728             0.28748641703
                205.00395074             0.41622321885
                 81.251596065            0.22397845695
            S    4   1.00
                505.74661282            -0.25184609291D-01
                156.96593744            -0.11898929721
                 25.761448176            0.54930135870
                 11.106654687            0.52939309129
            S    2   1.00
                 17.272059104           -0.22854595728
                  2.9438289048           0.68377930317
            S    1   1.00
                  1.2839164916           1.0000000
            S    1   1.00
                  0.25873337445          1.0000000
            S    1   1.00
                  0.93524913177D-01      1.0000000
            S    1   1.00
                  0.41984351140D-01      1.0000000
            P    6   1.00
               2633.9346241              0.22143925310D-02
                624.00161628             0.18140899141D-01
                200.58528404             0.86632184922D-01
                 75.097081525            0.25649020592
                 30.214388474            0.42658611262
                 12.440087567            0.26200527313
            P    3   1.00
                 45.981316002           -0.20321767678D-01
                  6.9945654416           0.32013744527
                  2.9686001327           0.59051014555
            P    1   1.00
                  1.2320988495           1.0000000
            P    1   1.00
                  0.28981614974          1.0000000
            P    1   1.00
                  0.85564606447D-01      1.0000000
            D    5   1.00
                119.44887581             0.10586544521D-01
                 35.062915293            0.69601280945D-01
                 12.636924529            0.22807035287
                  4.8888672922           0.40301067220
                  1.8453195392           0.41304847015
            D    1   1.00
                  0.63571158892           .19639209740
            D    1   1.00
                  0.35492132             1.0000000
            D    1   1.00
                  0.13155709             1.0000000
            D    1   1.00
                  0.56134940012D-01      1.0000000
            F    1   1.00
                  0.36210645             1.0000000
            ****
            -As     0
            S    8   1.00
             498032.4215800              0.22740196900D-03
              74656.8687430              0.17632816413D-02
              16990.9600040              0.91728040381D-02
               4809.6200321              0.37337829344D-01
               1566.2887055              0.12199536117
                563.21360499             0.29137475324
                219.11179978             0.42326351479
                 86.866061030            0.22921464278
            S    4   1.00
                538.19512479            -0.25254197297D-01
                167.14850224            -0.11915461115
                 27.605517159            0.54628495980
                 11.947858521            0.53001520976
            S    2   1.00
                 18.538023133           -0.23479188136
                  3.2018985739           0.69167053428
            S    1   1.00
                  1.4356522077           1.0000000
            S    1   1.00
                  0.31837805200          1.0000000
            S    1   1.00
                  0.11622632186          1.0000000
            S    1   1.00
                  0.50450200093D-01      1.0000000
            P    6   1.00
               2678.9421546              0.23318955287D-02
                634.61765840             0.19042149977D-01
                203.93967606             0.90229744913D-01
                 76.323890369            0.26169037693
                 30.664124943            0.41857168155
                 12.505056732            0.23447830190
            P    4   1.00
                 49.256229549           -0.21235539870D-01
                  7.7274891466           0.30470206668
                  3.5410493476           0.52888373107
                  1.6985585501           0.37272250955
            P    1   1.00
                  0.76848071044          1.0000000
            P    1   1.00
                  0.30050823260          1.0000000
            P    1   1.00
                  0.98190639437D-01      1.0000000
            D    5   1.00
                135.33289305             0.99291144106D-02
                 39.860212744            0.66568843496D-01
                 14.446428359            0.22275768307
                  5.6432900356           0.40309224382
                  2.1668188623           0.41671667946
            D    1   1.00
                  0.76514970569           .18935502288
            D    1   1.00
                  0.42434653             1.0000000
            D    1   1.00
                  0.16331527             1.0000000
            D    1   1.00
                  0.67575334568D-01      1.0000000
            F    1   1.00
                  0.43271941             1.0000000
            ****
            -Se     0
            S    8   1.00
             531071.6669600              0.24108973168D-03
              79603.0441170              0.18696431441D-02
              18115.8442400              0.97271616536D-02
               5127.8923194              0.39604793031D-01
               1669.9130839              0.12948855136
                600.57534527             0.30959437289
                233.70021247             0.45115769216
                 92.672443932            0.24579189033
            S    4   1.00
                571.57513675            -0.26895707881D-01
                177.63686375            -0.12670989353
                 29.517767052            0.57699001719
                 12.824399795            0.56369075408
            S    2   1.00
                 19.848235841           -0.25132415534
                  3.4744018486           0.72905416980
            S    1   1.00
                  1.5988910849           1.0000000
            S    1   1.00
                  0.38333469387          1.0000000
            S    1   1.00
                  0.14049742459          1.0000000
            S    1   1.00
                  0.45053485505D-01      1.0000000
            P    6   1.00
               2815.3500566              0.25569026854D-02
                666.92558298             0.20874026901D-01
                214.34213188             0.98772096250D-01
                 80.246687942            0.28471821221
                 32.251081288            0.45003584934
                 13.106432562            0.24416091055
            P    4   1.00
                 53.366108516           -0.21558456273D-01
                  8.1827777195           0.32662310638
                  3.6239945672           0.57740499319
                  1.6341591401           0.34301320826
            P    1   1.00
                  0.58418320228          1.0000000
            P    1   1.00
                  0.23966269279          1.0000000
            P    1   1.00
                  0.88785134803D-01      1.0000000
            P    1   1.00
                  0.26632920997D-01      1.0000000
            D    5   1.00
                151.82910279             0.93970276988D-02
                 44.839992523            0.64086503991D-01
                 16.328999510            0.21834238004
                  6.4305057612           0.40314789649
                  2.5048025169           0.41966491490
            D    1   1.00
                  0.90271148434           .18366663432
            D    1   1.00
                  0.47683613             1.0000000
            D    1   1.00
                  0.18535160             1.0000000
            D    1   1.00
                  0.64254758023D-01      1.0000000
            F    1   1.00
                  0.48866905             1.0000000
            ****
            -Br     0
            S    8   1.00
             565073.2525600              0.23660314690D-03
              84701.7231790              0.18348332508D-02
              19276.2719000              0.95465849860D-02
               5456.4284576              0.38877142153D-01
               1776.9503500              0.12718314231
                639.19398276             0.30437662191
                248.78823961             0.44490940497
                 98.678305494            0.24381643058
            S    4   1.00
                606.07824568            -0.26527158709D-01
                188.45598484            -0.12484584809
                 31.497144506            0.56468683559
                 13.736008320            0.55555268564
            S    2   1.00
                 21.203212766           -0.24940920493
                  3.7616420178           0.71213119743
            S    1   1.00
                  1.7735933962           1.0000000
            S    1   1.00
                  0.45197413664          1.0000000
            S    1   1.00
                  0.16613377099          1.0000000
            S    1   1.00
                  0.52769579657D-01      1.0000000
            P    6   1.00
               3019.6955723              0.24971049798D-02
                715.35481126             0.20419267596D-01
                229.98328751             0.96897148309D-01
                 86.167844615            0.28053901252
                 34.667870802            0.44606390473
                 14.113870307            0.24410073923
            P    4   1.00
                 57.085653082           -0.21855950710D-01
                  8.8193845840           0.32707075320
                  3.9340302872           0.57855229520
                  1.7998830384           0.33570987698
            P    1   1.00
                  0.66899410512          1.0000000
            P    1   1.00
                  0.27136238231          1.0000000
            P    1   1.00
                  0.10083790243          1.0000000
            P    1   1.00
                  0.29005224647D-01      1.0000000
            D    5   1.00
                168.85370257             0.89663981988D-02
                 49.977949919            0.62062059316D-01
                 18.274913338            0.21474732384
                  7.2455694631           0.40335336746
                  2.8562315025           0.42208813080
            D    1   1.00
                  1.0459621144            .17874813267
            D    1   1.00
                  0.56865655             1.0000000
            D    1   1.00
                  0.22031490             1.0000000
            D    1   1.00
                  0.75865567476D-01      1.0000000
            F    1   1.00
                  0.57083312             1.0000000
            ****
            -Kr     0
            S    8   1.00
             600250.9757500              0.23740610399D-03
              89976.6507810              0.18410240539D-02
              20476.8142250              0.95795580699D-02
               5796.1554078              0.39020650488D-01
               1887.5913196              0.12772645628
                679.11458519             0.30596521300
                264.38244511             0.44857474437
                104.88368574             0.24722957327
            S    4   1.00
                641.47370764            -0.26745279805D-01
                199.57524820            -0.12571122567
                 33.545462954            0.56483736390
                 14.683955144            0.55972765539
            S    2   1.00
                 22.603101860           -0.25298771800
                  4.0650682991           0.70992159965
            S    1   1.00
                  1.9611027060           1.0000000
            S    1   1.00
                  0.52465147979          1.0000000
            S    1   1.00
                  0.19332399511          1.0000000
            S    1   1.00
                  0.61730246979D-01      1.0000000
            P    6   1.00
               3232.9589614              0.24885607974D-02
                765.96442694             0.20379007428D-01
                246.33940810             0.96977188584D-01
                 92.365283041            0.28199960954
                 37.199509551            0.45116254358
                 15.172166534            0.24917131496
            P    4   1.00
                 60.931321698           -0.22173603519D-01
                  9.4792600646           0.32838462778
                  4.2564686326           0.58124997120
                  1.9729313762           0.32863541783
            P    1   1.00
                  0.76337108716          1.0000000
            P    1   1.00
                  0.30943625526          1.0000000
            P    1   1.00
                  0.11569704458          1.0000000
            P    1   1.00
                  0.32364688085D-01      1.0000000
            D    5   1.00
                186.41760904             0.86120284601D-02
                 55.274124345            0.60394406304D-01
                 20.283219120            0.21181331869
                  8.0884536976           0.40366293413
                  3.2214033853           0.42402860686
            D    1   1.00
                  1.1952170102            .17441742274
            D    1   1.00
                  0.6480000              1.0000000
            D    1   1.00
                  0.2510000              1.0000000
            D    1   1.00
                  0.87900125404D-01      1.0000000
            F    1   1.00
                  0.6280000              1.0000000
            ****
            -Rb     0
            S    2   1.00
                  7.4744618040           0.26997866363
                  6.7296180594          -0.42629251814
            S    1   1.00
                  2.7816640004           1.0000000
            S    1   1.00
                  0.53452175148          1.0000000
            S    1   1.00
                  0.22368793034          1.0000000
            S    1   1.00
                  0.32410407052D-01      1.0000000
            S    1   1.00
                  0.14171047424D-01      1.0000000
            P    4   1.00
                  5.6720643194           0.48114224135D-01
                  3.3320183956          -0.18485131426
                  0.80150054910          0.42811864954
                  0.36302220227          0.58673165411
            P    1   1.00
                  0.15733924392          1.0000000
            P    1   1.00
                  0.40000000000D-01      1.0000000
            P    1   1.00
                  0.16000000000D-01      1.0000000
            D    1   1.00
                  0.25907866956          0.76806746340D-01
            D    1   1.00
                  0.42507438045D-01      0.37846160487
            D    1   1.00
                  0.11909276840D-01      1.0000000
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                 33.404240134            0.68377675770D-02
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            ****
            -Xe     0
            S    5   1.00
               6420.2481656              0.25092173886D-03
                983.54530664             0.16251948178D-02
                219.43881364             0.46037106451D-02
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                  6.2390917199           0.38470524721
            S    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 38.727062692            0.60897654151D-02
                 15.377328089           -0.92782985596D-02
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            D    1   1.00
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            ****
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            S    3   1.00
                  5.8778113443           0.12859994983
                  4.3631538286          -0.34632569725
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            S    1   1.00
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            P    1   1.00
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            D    1   1.00
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            D    1   1.00
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            ****
            -Ba     0
            S    2   1.00
                  6.0000000000          -0.56587174838
                  4.9822082226           0.97514768535
            S    1   1.00
                  2.1451943914           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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                  4.9017938336           0.67755479813
                  2.6142685062          -0.46010554954
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            P    1   1.00
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            D    1   1.00
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                 10.00                   0.073
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            ****
            -La     0
            S    2   1.00
                  5.0873990000          -0.44174952534
                  4.2709780000           0.85812466843
            S    1   1.00
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            S    1   1.00
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                  3.6808191615           0.14675038550
                  2.3265462081          -0.35581819167
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            P    1   1.00
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            P    1   1.00
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            D    1   1.00
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            -Hf     0
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                 16.000000000           -3.5064630782
                 14.400000000            4.3082581000
                 10.304504667           -0.91045809742
            S    1   1.00
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                  4.9203967161          -0.28227924657
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            P    1   1.00
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            D    1   1.00
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            ****
            -Ta     0
            S    4   1.00
                 24.473650944            0.20590322488
                 18.721372549           -0.74670795514
                 11.500000000            3.4071363897
                 10.350000000           -2.8175487609
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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                 12.008186536            0.10336287365
                  5.0278760583          -0.28526521696
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    3   1.00
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            D    1   1.00
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            -W     0
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                 30.000000000            0.32246483410
                 27.000000000           -0.46692257214
                 13.078045684            0.42699563776
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                 12.431973432            0.10905673845
                  5.1586217658          -0.29399955020
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                  5.9026268603          -0.17667540011
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            D    1   1.00
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            D    1   1.00
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            ****
            -Re     0
            S    3   1.00
                 30.000000000            0.31780717811
                 27.000000000           -0.46492321332
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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                 12.318606250            0.99711498502D-01
                  5.3719234505          -0.29289398145
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                  6.0949443610          -0.17722258734
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            D    1   1.00
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            D    1   1.00
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            ****
            -Os     0
            S    3   1.00
                 30.000000000            0.32213004804
                 27.000000000           -0.47922918137
                 13.524730005            0.47465946837
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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                 14.000000000           -0.23201520402
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                  1.4139502215          -0.54253238176
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                  6.3060397430          -0.16444229630
                  1.4890109110           0.55154541033
                  0.67315390607          0.88461370291
            D    1   1.00
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            D    1   1.00
                  0.11058012051          1.0000000
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                  0.5506500              1.0000000
            ****
            -Ir     0
            S    3   1.00
                 30.000000000            0.30797903228
                 27.000000000           -0.46726361781
                 13.961973911            0.47161003146
            S    1   1.00
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            P    4   1.00
                 15.902664143           -0.16290720099
                 14.415830698            0.23483212987
                  5.7597608991          -0.30305337176
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  6.5898192302          -0.17326965173
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                  0.71827834905          0.85273641436
            D    1   1.00
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            D    1   1.00
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            ****
            -Pt     0
            S    3   1.00
                 30.000000000            0.27148263900
                 27.000000000           -0.42226758774
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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                 14.000000000            0.23853412989
                  6.1161212339          -0.31041379733
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                  7.4207226520          -0.90271847072D-01
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            D    1   1.00
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            D    1   1.00
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            ****
            -Au     0
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                 27.000000000           -0.33267893394
                 14.746824331            0.38302817958
            S    1   1.00
                  5.6017248938           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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                  1.6595601681          -0.57279670446
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                  7.2698886937          -0.93690906606D-01
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                  0.79960541055          0.46795192483
            D    1   1.00
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            D    1   1.00
                  0.12445133105          1.0000000
            F    1   1.00
                  0.7248200              1.0000000
            ****
            -Hg     0
            S    3   1.00
                 48.013786990            0.58008164912D-02
                 21.239875095           -0.17328165235
                 15.876100879            0.36416685034
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                 15.252594855            0.15327318234
                  6.4404715169          -0.30274955249
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            P    1   1.00
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            P    1   1.00
                  0.41304540122          1.0000000
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  7.5920661493          -0.94774230522D-01
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                  0.88641552102          0.45567078406
            D    1   1.00
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            D    1   1.00
                  0.14880740086          1.0000000
            F    1   1.00
                  0.7956900              1.0000000
            ****
            -Tl     0
            S    4   1.00
                729.65038145             0.13672829828D-03
                 46.665548707            0.60443439951D-02
                 20.970448726           -0.20022066697
                 14.149588677            0.40801678488
            S    2   1.00
                 20.730134285           -0.71861135918D-01
                  6.1527631309           0.98057508445
            S    1   1.00
                  1.5757324480           1.0000000
            S    1   1.00
                  0.74980169458          1.0000000
            S    1   1.00
                  0.19536816194          1.0000000
            S    1   1.00
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            S    1   1.00
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            P    3   1.00
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                 14.814929544           -0.72859235151
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            P    3   1.00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                  9.7368866667           0.24456562496D-01
                  6.9256201679          -0.69914775031D-01
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                  1.0836187110           0.29731629705
                  0.52356298209          0.23728708102
            D    1   1.00
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            D    1   1.00
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            D    1   1.00
                  0.30807799761D-01      1.0000000
            F    1   1.00
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            F    1   1.00
                  0.2843500              1.0000000
            ****
            -Pb     0
            S    4   1.00
                591.61124370             0.22126521076D-03
                 46.757232559            0.56961959130D-02
                 20.746462696           -0.21374063831
                 14.610796419            0.40502620616
            S    2   1.00
                 20.222637612           -0.83541883299D-01
                  6.4767324865           0.97910892388
            S    1   1.00
                  1.6600600927           1.0000000
            S    1   1.00
                  0.80431655001          1.0000000
            S    1   1.00
                  0.22627039020          1.0000000
            S    1   1.00
                  0.84014530665D-01      1.0000000
            S    1   1.00
                  0.28533321717D-01      1.0000000
            P    3   1.00
                 15.189102118            0.61952303583
                 14.693144415           -0.72498497086
                  6.8705890048           0.37680007984
            P    3   1.00
                  2.2021426123           0.40196284806
                  1.2209125119           0.46058131862
                  0.63367559815          0.19367655397
            P    1   1.00
                  0.28202837058          1.0000000
            P    1   1.00
                  0.11333375666          1.0000000
            P    1   1.00
                  0.43948707430D-01      1.0000000
            D    6   1.00
                 61.315369628            0.33870800787D-03
                 12.372195840            0.13788683942D-01
                  6.9254944983          -0.75979608103D-01
                  2.3319539939           0.28113784298
                  1.2108730003           0.44474512269
                  0.60090478506          0.35326874351
            D    1   1.00
                  0.28135869813          1.0000000
            D    1   1.00
                  0.11500000000          1.0000000
            D    1   1.00
                  0.40071342706D-01      1.0000000
            F    1   1.00
                  1.0000000              1.0000000
            F    1   1.00
                  0.2896200              1.0000000
            ****
            -Bi     0
            S    4   1.00
                716.41435310             0.31254307133D-03
                 83.806059047            0.17624768946D-02
                 21.116962853           -0.21910983437
                 15.491448187            0.40411224931
            S    2   1.00
                 23.239855029           -0.68255758685D-01
                  6.6474255000           0.97888046471
            S    1   1.00
                  1.7617744005           1.0000000
            S    1   1.00
                  0.87252866000          1.0000000
            S    1   1.00
                  0.25618895997          1.0000000
            S    1   1.00
                  0.97073913006D-01      1.0000000
            S    1   1.00
                  0.35808906242D-01      1.0000000
            P    3   1.00
                 15.249644669            0.74560356000
                 14.846176053           -0.85578637338
                  7.0636826784           0.40149159592
            P    3   1.00
                  2.5881255616           0.35542729633
                  1.5020208499           0.63976991890
                  0.76732724388          0.32332773839
            P    1   1.00
                  0.32797648982          1.0000000
            P    1   1.00
                  0.13820335991          1.0000000
            P    1   1.00
                  0.55137330969D-01      1.0000000
            D    6   1.00
                 66.404481948            0.38102878348D-03
                 13.858426961            0.10746152442D-01
                  7.0654519000          -0.71947646845D-01
                  2.5252144035           0.26195974989
                  1.3419585000           0.42594750000
                  0.68340941000          0.33680325627
            D    1   1.00
                  0.32934755420          1.0000000
            D    1   1.00
                  0.14000000000          1.0000000
            D    1   1.00
                  0.50194378647D-01      1.0000000
            F    1   1.00
                  1.0500000              1.0000000
            F    1   1.00
                  0.3127100              1.0000000
            ****
            -Po     0
            S    5   1.00
               6744.8211765              0.76891556363D-04
                744.41892532             0.71284827354D-03
                131.04029309             0.22057583958D-02
                 19.662021030           -0.64364713744
                 16.623025609            0.91997150546
            S    2   1.00
                 23.094002965           -0.70404410177D-01
                  6.9707398381           0.97886540086
            S    1   1.00
                  1.8497377593           1.0000000
            S    1   1.00
                  0.93082999263          1.0000000
            S    1   1.00
                  0.28673026462          1.0000000
            S    1   1.00
                  0.10979212169          1.0000000
            S    1   1.00
                  0.35812540416D-01      1.0000000
            P    4   1.00
                  8.9027395407          -0.13798250445
                  5.7414667465           0.26304005326
                  1.9896329823           0.66225846161
                  0.94703210822          0.39547051892
            P    3   1.00
                253.99024497             0.83876362116D-04
                  9.8712718748           0.24572710458
                  7.4489893496          -0.44297763661
            P    1   1.00
                  0.37071136280          1.0000000
            P    1   1.00
                  0.15554706086          1.0000000
            P    1   1.00
                  0.61173720818D-01      1.0000000
            P    1   1.00
                  0.19437729576D-01      1.0000000
            D    6   1.00
                 67.943077046            0.48919125336D-03
                 14.914219894            0.10157120776D-01
                  7.2973948305          -0.69943263066D-01
                  2.6826784400           0.26244730680
                  1.4374143009           0.42702361494
                  0.73903797417          0.32502435477
            D    1   1.00
                  0.35838153281          1.0000000
            D    1   1.00
                  0.15000000000          1.0000000
            D    1   1.00
                  0.51710661379D-01      1.0000000
            F    1   1.00
                  1.4000000              1.0000000
            F    1   1.00
                  0.3327500              1.0000000
            ****
            -At     0
            S    5   1.00
               3635.9809356              0.12571463494D-03
                537.64129823             0.75950883820D-03
                 91.600030756            0.25790982348D-02
                 20.200005804           -0.54772187699
                 16.893873824            0.78417507786
            S    2   1.00
                 18.177216938           -0.13023627002
                  7.2317852082           0.96473566747
            S    1   1.00
                  1.9496199739           1.0000000
            S    1   1.00
                  0.99226695236          1.0000000
            S    1   1.00
                  0.31957178881          1.0000000
            S    1   1.00
                  0.12342539809          1.0000000
            S    1   1.00
                  0.40936378211D-01      1.0000000
            P    4   1.00
                  8.9484156471          -0.15012953475
                  5.9694592464           0.27048141788
                  2.1099088209           0.63671217722
                  1.0236370373           0.38057472615
            P    3   1.00
                216.81518928             0.16975297090D-03
                 10.592298115            0.22683755793
                  7.4596585430          -0.47336848377
            P    1   1.00
                  0.42186356565          1.0000000
            P    1   1.00
                  0.17757132268          1.0000000
            P    1   1.00
                  0.69670886939D-01      1.0000000
            P    1   1.00
                  0.20397906578D-01      1.0000000
            D    6   1.00
                 70.619633393            0.59974022914D-03
                 16.212096478            0.93445952839D-02
                  7.3607401479          -0.70748413897D-01
                  2.9309052592           0.24037366077
                  1.6085414823           0.41841372624
                  0.84194162715          0.32832651044
            D    1   1.00
                  0.41335677957          1.0000000
            D    1   1.00
                  0.17400000000          1.0000000
            D    1   1.00
                  0.59789898654D-01      1.0000000
            F    1   1.00
                  1.8000000              1.0000000
            F    1   1.00
                  0.3740800              1.0000000
            ****
            -Rn     0
            S    5   1.00
               5187.7442468              0.16097034848D-03
                768.14491207             0.10508214789D-02
                159.35182065             0.27375438093D-02
                 21.863432724           -0.55045904905
                 18.388689978            0.78321373922
            S    2   1.00
                 24.816226448           -0.82636797204D-01
                  7.2923301677           1.0926256000
            S    1   1.00
                  2.0850437166           1.0000000
            S    1   1.00
                  1.0915245945           1.0000000
            S    1   1.00
                  0.34915708428          1.0000000
            S    1   1.00
                  0.13648422952          1.0000000
            S    1   1.00
                  0.46837581728D-01      1.0000000
            P    4   1.00
                  9.0845000304          -0.23093917426
                  6.2631489717           0.39747614192
                  2.2545193734           0.83026693838
                  1.1180666918           0.51467013112
            P    3   1.00
                194.68918723             0.26265814046D-03
                 11.210013525            0.19952302621
                  7.5298316489          -0.45994479561
            P    1   1.00
                  0.47444492594          1.0000000
            P    1   1.00
                  0.20172354616          1.0000000
            P    1   1.00
                  0.79503144392D-01      1.0000000
            P    1   1.00
                  0.22264519316D-01      1.0000000
            D    6   1.00
                 75.302723665            0.73590238429D-03
                 17.965913830            0.89490827389D-02
                  7.3741298033          -0.76641663693D-01
                  3.2296258578           0.22975404602
                  1.7937840508           0.43991495311
                  0.94633319732          0.35259395198
            D    1   1.00
                  0.46860482223          1.0000000
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.68815941916D-01      1.0000000
            F    1   1.00
                  2.1000000              1.0000000
            F    1   1.00
                  0.4180600              1.0000000
            ****
            
            -RB     0
            RB-ECP     3     28
            f potential
              1
            2      3.8431140            -12.3169000
            s-f potential
              3
            2      5.0365510             89.5001980
            2      1.9708490              0.4937610
            2      3.8431140             12.3169000
            p-f potential
              3
            2      4.2583410             58.5689740
            2      1.4707090              0.4317910
            2      3.8431140             12.3169000
            d-f potential
              3
            2      3.0231270             26.2248980
            2      0.6503830              0.9628390
            2      3.8431140             12.3169000
            -SR     0
            SR-ECP     3     28
            f potential
              1
            2      4.6339750            -15.8059920
            s-f potential
              3
            2      7.4000740            135.4794300
            2      3.6063790             17.5344630
            2      4.6339750             15.8059920
            p-f potential
              3
            2      6.4848680             88.3597090
            2      3.2880530             15.3943720
            2      4.6339750             15.8059920
            d-f potential
              3
            2      4.6228410             29.8889870
            2      2.2469040              6.6594140
            2      4.6339750             15.8059920
            -Y     0
            Y-ECP     3     28
            f potential
              2
            2      6.5842120            -19.12219811
            2      3.2921060             -2.43637543
            s-f potential
              4
            2      7.4880494            135.15384412
            2      3.7440247             15.55244130
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            p-f potential
              4
            2      6.4453772             87.78499167
            2      3.2226886             11.56406599
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            d-f potential
              4
            2      4.6584472             29.70100072
            2      2.3292236              5.53996847
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            -ZR     0
            ZR-ECP     3     28
            f potential
              2
            2      7.5400000            -21.09377605
            2      3.7700000             -3.08069427
            s-f potential
              4
            2      8.2000000            150.26759106
            2      4.0897278             18.97621650
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            p-f potential
              4
            2      7.1100000             99.62212372
            2      3.5967980             14.16873329
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            d-f potential
              4
            2      5.3500000             35.04512355
            2      2.4918215              6.11125948
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            -NB     0
            NB-ECP     3     28
            f potential
              2
            2      8.4900000            -22.92954996
            2      4.2500000             -3.66630986
            s-f potential
              4
            2      8.9000000            165.17914349
            2      4.4300000             21.99297437
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            p-f potential
              4
            2      7.7700000            111.79441445
            2      3.9600000             16.63348326
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            d-f potential
              4
            2      6.0500000             38.11224880
            2      2.8400000              8.03916727
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            -MO     0
            MO-ECP     3     28
            f potential
              2
            2      9.4500000            -24.80517707
            2      4.7200000             -4.15378155
            s-f potential
              4
            2      9.7145938            180.10310850
            2      4.6805004             24.99722791
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            p-f potential
              4
            2      8.1421366            123.77275231
            2      4.6259863             19.53022800
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            d-f potential
              4
            2      6.6184148             48.37502229
            2      3.2487516              8.89205274
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            -TC     0
            TC-ECP     3     28
            f potential
              2
            2     10.4000000            -26.56244747
            2      5.2000000             -4.58568054
            s-f potential
              4
            2     10.4223462            195.15916591
            2      5.0365160             28.09260333
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            p-f potential
              4
            2      8.9504494            135.28456622
            2      4.8544394             21.80650430
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            d-f potential
              4
            2      6.9456968             54.32972942
            2      3.9705849             11.15506795
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            -RU     0
            RU-ECP     3     28
            f potential
              2
            2     11.3600000            -28.34061627
            2      5.6800000             -4.94462923
            s-f potential
              4
            2     11.1052693            209.82297122
            2      5.4147454             30.65472642
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            p-f potential
              4
            2      9.7712707            146.33618228
            2      5.0739908             24.12787723
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            d-f potential
              4
            2      7.6714231             67.51589667
            2      4.1365647              9.87010415
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            -RH     0
            RH-ECP     3     28
            f potential
              2
            2     12.3100000            -30.09345572
            2      6.1600000             -5.21848192
            s-f potential
              4
            2     11.7200000            225.34775353
            2      5.8200000             32.82318898
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            p-f potential
              4
            2     10.4200000            158.70941159
            2      5.4500000             26.44410049
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            d-f potential
              4
            2      8.8200000             62.75862572
            2      3.8700000             10.97871947
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            -PD     0
            PD-ECP     3     28
            f potential
              2
            2     13.2700000            -31.92955431
            2      6.6300000             -5.39821694
            s-f potential
              4
            2     12.4300000            240.22904033
            2      6.1707594             35.17194347
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            p-f potential
              4
            2     11.0800000            170.41727605
            2      5.8295541             28.47213287
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            d-f potential
              4
            2      9.5100000             69.01384488
            2      4.1397811             11.75086158
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            -AG     0
            AG-ECP     3     28
            f potential
              2
            2     14.2200000            -33.68992012
            2      7.1100000             -5.53112021
            s-f potential
              4
            2     13.1300000            255.13936452
            2      6.5100000             36.86612154
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            p-f potential
              4
            2     11.7400000            182.18186871
            2      6.2000000             30.35775148
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            d-f potential
              4
            2     10.2100000             73.71926087
            2      4.3800000             12.50211712
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            -CD     0
            CD-ECP     3     28
            f potential
              2
            2     15.1847957            -35.47662555
            2      7.5923978             -5.61767685
            s-f potential
              4
            2     13.8358689            270.00948324
            2      6.8572704             38.76730798
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            p-f potential
              4
            2     12.4049710            193.82962939
            2      6.5677995             31.89652523
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            d-f potential
              4
            2     10.8969253             79.19364700
            2      4.6411649             13.23082674
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            -IN     0
            IN-ECP     3     28
            f potential
              2
            2     12.53905600           -13.72807800
            2     12.55256100           -18.20686600
            s-f potential
              4
            2     15.39282200           281.12235000
            2      8.05586400            61.90147000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            p-f potential
              6
            2     13.92867200            67.46215400
            2     13.34723400           134.94925000
            2      7.61413200            14.74614000
            2      7.31836500            29.63926200
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            d-f potential
              6
            2     14.03471500            35.49325400
            2     14.51161600            53.17877300
            2      5.55055000             9.17728100
            2      5.05941500            12.39241000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            -SN     0
            SN-ECP     3     28
            f potential
              2
            2     12.28234800           -12.57633300
            2     12.27215000           -16.59594400
            s-f potential
              4
            2     17.42041400           279.98868200
            2      7.63115500            62.37781000
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            p-f potential
              6
            2     16.13102400            66.16252300
            2     15.62807700           132.17439600
            2      7.32560800            16.33941700
            2      6.94251900            32.48895900
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            d-f potential
              6
            2     15.51497600            36.38744100
            2     15.18816000            54.50784100
            2      5.45602400             8.69682300
            2      5.36310500            12.84020800
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            -SB     0
            SB-ECP     3     28
            f potential
              2
            2     14.44497800           -15.36680100
            2     14.44929500           -20.29613800
            s-f potential
              4
            2     16.33086500           281.07158100
            2      8.55654200            61.71660400
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            p-f potential
              6
            2     14.47033700            67.45738000
            2     13.81619400           134.93350300
            2      8.42492400            14.71634400
            2      8.09272800            29.51851200
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            d-f potential
              6
            2     14.88633100            35.44781500
            2     15.14631900            53.14346600
            2      5.90826700             9.17922300
            2      5.59432200            13.24025300
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            -TE     0
            TE-ECP     3     28
            f potential
              2
            2     15.20616800           -15.74545000
            2     15.20170200           -20.74244800
            s-f potential
              4
            2     16.81447300           281.04584300
            2      8.79352600            61.62065600
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            p-f potential
              6
            2     14.87780100            67.44946400
            2     14.26973100           134.90430400
            2      8.72443500            14.68954700
            2      8.29151500            29.41506300
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            d-f potential
              6
            2     15.20500800            35.43205700
            2     15.22584800            53.13568700
            2      6.07176900             9.06980200
            2      5.80476000            13.12230400
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            -I     0
            I-ECP     3     28
            f potential
              4
            2     19.45860900           -21.84204000
            2     19.34926000           -28.46819100
            2      4.82376700            -0.24371300
            2      4.88431500            -0.32080400
            s-f potential
              7
            2     40.01583500            49.99429300
            2     17.42974700           281.02531700
            2      9.00548400            61.57332600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            p-f potential
              8
            2     15.35546600            67.44284100
            2     14.97183300           134.88113700
            2      8.96016400            14.67505100
            2      8.25909600            29.37566600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            d-f potential
              10
            2     15.06890800            35.43952900
            2     14.55532200            53.17605700
            2      6.71864700             9.06719500
            2      6.45639300            13.20693700
            2      1.19177900             0.08933500
            2      1.29115700             0.05238000
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            -XE     0
            XE-ECP     3     28
            f potential
              4
            2     20.88155700           -23.08929500
            2     20.78344300           -30.07447500
            2      5.25338900            -0.28822700
            2      5.36118800            -0.38692400
            s-f potential
              7
            2     40.00518400            49.99796200
            2     17.81221400           281.01330300
            2      9.30415000            61.53825500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            p-f potential
              8
            2     15.70177200            67.43914200
            2     15.25860800           134.87471100
            2      9.29218400            14.66330000
            2      8.55900300            29.35473000
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            d-f potential
              10
            2     15.18560000            35.43690800
            2     14.28450000            53.19577200
            2      7.12188900             9.04623200
            2      6.99196300            13.22368100
            2      0.62394600             0.08485300
            2      0.64728400             0.04415500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            -CS     0
            CS-ECP     3     46
            f potential
              1
            2      3.1232690            -28.8843090
            s-f potential
              3
            2      4.0797500             84.5477300
            2      2.4174060             16.6541730
            2      3.1232690             28.8843090
            p-f potential
              3
            2      5.5140800            157.0490590
            2      2.1603160             26.4233070
            2      3.1232690             28.8843090
            d-f potential
              3
            2      1.8074100             13.1727530
            2      0.8581820              3.3428330
            2      3.1232690             28.8843090
            -BA     0
            BA-ECP     3     46
            f potential
              1
            2      3.5894650            -33.4731740
            s-f potential
              3
            2      9.5269860            427.8458160
            2      4.4875100            204.4175300
            2      3.5894650             33.4731740
            p-f potential
              3
            2      8.3159300            293.6058640
            2      4.2922170            294.1933160
            2      3.5894650             33.4731740
            d-f potential
              3
            2      5.9161080            112.5504020
            2      2.8748420            181.7826210
            2      3.5894650             33.4731740
            -LA     0
            LA-ECP     3     46
            f potential
              1
            2      4.0286000            -36.0100160
            s-f potential
              3
            2      3.3099000             91.9321770
            2      1.6550000             -3.7887640
            2      4.0286000             36.0100160
            p-f potential
              3
            2      2.8368000             63.7594860
            2      1.4184000             -0.6479580
            2      4.0286000             36.0100160
            d-f potential
              3
            2      2.0213000             36.1161730
            2      1.0107000              0.2191140
            2      4.0286000             36.0100160
            -HF     0
            HF-ECP     3     60
            f potential
              1
            2      1.78576984            10.04672251
            s-f potential
              3
            2     14.76995900          1499.28471073
            2      7.38497940            40.28210136
            2      1.78576984           -10.04672251
            p-f potential
              3
            2      9.84948950           397.73300533
            2      4.92474450            19.31640586
            2      1.78576984           -10.04672251
            d-f potential
              3
            2      6.09675640           101.32980526
            2      3.04837820             5.87343821
            2      1.78576984           -10.04672251
            -TA     0
            TA-ECP     3     60
            f potential
              1
            2      2.01788111            12.01796094
            s-f potential
              3
            2     14.54640770          1345.88064703
            2      7.27320380            36.76680620
            2      2.01788111           -12.01796094
            p-f potential
              3
            2      9.93556529           378.42530145
            2      4.96778243            22.29309086
            2      2.01788111           -12.01796094
            d-f potential
              3
            2      6.34737691           104.88395571
            2      3.17368846             8.75584805
            2      2.01788111           -12.01796094
            -W     0
            W-ECP     3     60
            f potential
              1
            2      2.25888846            14.15257947
            s-f potential
              3
            2     14.32285640          1192.39588226
            2      7.16142810            32.52293315
            2      2.25888846           -14.15257947
            p-f potential
              3
            2     10.02164110           359.03196711
            2      5.01082040            24.03038019
            2      2.25888846           -14.15257947
            d-f potential
              3
            2      6.59799743           108.30134897
            2      3.29899871            10.98252827
            2      2.25888846           -14.15257947
            -RE     0
            RE-ECP     3     60
            f potential
              1
            2      2.50865059            16.44985227
            s-f potential
              3
            2     14.09930510          1038.95157226
            2      7.04965250            29.56173830
            2      2.50865059           -16.44985227
            p-f potential
              3
            2     10.10771690           339.54350965
            2      5.05385830            24.91369646
            2      2.50865059           -16.44985227
            d-f potential
              3
            2      6.84861794           111.69965275
            2      3.42430897            12.62432927
            2      2.50865059           -16.44985227
            -OS     0
            OS-ECP     3     60
            f potential
              1
            2      2.76707510            18.90945701
            s-f potential
              3
            2     13.87575390           885.40571914
            2      6.93787690            25.96704014
            2      2.76707510           -18.90945701
            p-f potential
              3
            2     10.19379260           320.08390185
            2      5.09689620            26.14876493
            2      2.76707510           -18.90945701
            d-f potential
              3
            2      7.09923846           115.04484313
            2      3.54961923            13.62257457
            2      2.76707510           -18.90945701
            -IR     0
            IR-ECP     3     60
            f potential
              1
            2      3.03407192            21.53103107
            s-f potential
              3
            2     13.65220260           732.26919978
            2      6.82610130            26.48472087
            2      3.03407192           -21.53103107
            p-f potential
              3
            2     10.27986840           299.48947357
            2      5.13993410            26.46623354
            2      3.03407192           -21.53103107
            d-f potential
              3
            2      7.34985897           124.45759451
            2      3.67492949            14.03599518
            2      3.03407192           -21.53103107
            -PT     0
            PT-ECP     3     60
            f potential
              1
            2      3.30956857            24.31437573
            s-f potential
              3
            2     13.42865130           579.22386092
            2      6.71432560            29.66949062
            2      3.30956857           -24.31437573
            p-f potential
              3
            2     10.36594420           280.86077422
            2      5.18297210            26.74538204
            2      3.30956857           -24.31437573
            d-f potential
              3
            2      7.60047949           120.39644429
            2      3.80023974            15.81092058
            2      3.30956857           -24.31437573
            -AU     0
            AU-ECP     3     60
            f potential
              2
            2      4.78982000            30.49008890
            2      2.39491000             5.17107381
            s-f potential
              4
            2     13.20510000           426.84667920
            2      6.60255000            37.00708285
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            p-f potential
              4
            2     10.45202000           261.19958038
            2      5.22601000            26.96249604
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            d-f potential
              4
            2      7.85110000           124.79066561
            2      3.92555000            16.30072573
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            -HG     0
            HG-ECP     3     60
            f potential
              1
            2      3.88579112            30.36499643
            s-f potential
              3
            2     12.98154870           275.73721174
            2      6.49077440            49.08921249
            2      3.88579112           -30.36499643
            p-f potential
              3
            2     10.53809580           241.54007398
            2      5.26904790            27.39659081
            2      3.88579112           -30.36499643
            d-f potential
              3
            2      8.10172051           127.86700761
            2      4.05086026            16.60831151
            2      3.88579112           -30.36499643
            -TL     0
            TL-ECP     3     60
            f potential
              4
            2      5.62639900            15.82548800
            2      5.54895200            21.10402100
            2      2.87494600             2.91512700
            2      2.82145100             3.89690300
            s-f potential
              6
            2     12.16780500           281.28466300
            2      8.29490900            62.43425100
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            p-f potential
              8
            2      7.15149200             4.63340800
            2      5.17286500             9.34175600
            2      9.89107200            72.29925300
            2      9.00339100           144.55803700
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            d-f potential
              8
            2      7.13021800            35.94303900
            2      6.92690600            53.90959300
            2      5.41757000            10.38193900
            2      5.13868100            15.58382200
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            -PB     0
            PB-ECP     3     60
            f potential
              2
            2      3.88751200            12.20989200
            2      3.81196300            16.19029100
            s-f potential
              4
            2     12.29630300           281.28549900
            2      8.63263400            62.52021700
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            p-f potential
              6
            2     10.24179000            72.27689700
            2      8.92417600           144.59108300
            2      6.58134200             4.75869300
            2      6.25540300             9.94062100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            d-f potential
              6
            2      7.75433600            35.84850700
            2      7.72028100            53.72434200
            2      4.97026400            10.11525600
            2      4.56378900            14.83373100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            -BI     0
            BI-ECP     3     60
            f potential
              2
            2      4.21454600            13.71338300
            2      4.13340000            18.19430800
            s-f potential
              4
            2     13.04309000           283.26422700
            2      8.22168200            62.47195900
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            p-f potential
              6
            2     10.46777700            72.00149900
            2      9.11890100           144.00227700
            2      6.75479100             5.00794500
            2      6.25259200             9.99155000
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            d-f potential
              6
            2      8.08147400            36.39625900
            2      7.89059500            54.59766400
            2      4.95555600             9.98429400
            2      4.70455900            14.98148500
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            -PO     0
            PO-ECP     3     60
            f potential
              4
            2      5.01327000            17.42829500
            2      4.98464000            23.38035300
            2      1.32676000             0.16339200
            2      1.52875800             0.32456600
            s-f potential
              6
            2     13.27722700           283.24470600
            2      8.39951800            62.39646100
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            p-f potential
              8
            2     10.66568200            71.99171600
            2      9.28375300           143.97187100
            2      6.87274900             4.94961500
            2      6.32615000             9.74049900
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            d-f potential
              8
            2      8.21486600            36.37838300
            2      8.00869600            54.56271500
            2      5.05522700             9.88949900
            2      4.78255300            14.69387700
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            -AT     0
            AT-ECP     3     60
            f potential
              4
            2      5.81216300            19.87019800
            2      5.75371500            26.41645200
            2      2.51347200             0.99497000
            2      2.53626100             1.49070100
            s-f potential
              7
            2     30.20083200            49.95715800
            2     13.61230600           283.21037100
            2      8.52934000            62.28105200
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            p-f potential
              8
            2     10.85406500            71.98237100
            2      9.46822900           143.90353200
            2      7.03111400             4.87175900
            2      6.14385800             8.98305900
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            d-f potential
              8
            2      8.31351500            36.36323700
            2      7.99896500            54.54897000
            2      5.17996600             9.77628500
            2      4.94222600            14.26475500
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            -RN     0
            RN-ECP     3     60
            f potential
              4
            2      6.34857100            21.79729000
            2      6.29594900            28.94680500
            2      2.88211800             1.44736500
            2      2.90804800             2.17796400
            s-f potential
              7
            2     30.15124200            49.96555100
            2     14.52124100           283.07000000
            2      8.05203800            62.00287000
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            p-f potential
              8
            2     11.00994200            71.96911900
            2      9.61762500           143.86055900
            2      7.33600800             4.71476100
            2      6.40625300             9.01306500
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            d-f potential
              8
            2      8.36922000            36.36836500
            2      8.11697500            54.55176100
            2      5.35365600             9.63448700
            2      5.09721200            14.38790200
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/B3LYPDBJ_def2TZVPD/03_trispirononane_STD/Gau-20769.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/B3LYPDBJ_def2TZVPD/03_trispirononane_STD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     20770.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                22-Jul-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=42GB
 %chk=03_trispirononane_STD_B3LYPDBJ-def2TZVPDr
 ----------------------------------------------------------------------
 #P B3LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(NoS
 ymm,MaxCyc=120) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-5,75=-5,116=-2,124=41/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Jul 22 18:03:49 2021, MaxMem=  5637144576 cpu:               0.8 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "03_trispirononane_STD_B3LYPDBJ-def2TZVPDr.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 0.850997000000      1.132902000000     -1.105650000000
  C                                                 1.349583000000      0.074712000000     -0.171197000000
  C                                                 0.000033000000      0.589081000000     -0.000049000000
  C                                                 2.545757000000     -0.163361000000      0.661658000000
  C                                                 2.010439000000     -1.243659000000     -0.273932000000
  C                                                -0.850800000000      1.132550000000      1.105829000000
  C                                                -1.349503000000      0.074646000000      0.171128000000
  C                                                -2.010462000000     -1.243726000000      0.273569000000
  C                                                -2.545996000000     -0.163032000000     -0.661407000000
  H                                                 1.247956000000      2.136318000000     -0.998967000000
  H                                                 0.606749000000      0.844078000000     -2.122271000000
  H                                                 2.409697000000     -0.307621000000      1.726593000000
  H                                                 3.473352000000      0.323369000000      0.386964000000
  H                                                 1.522142000000     -2.099447000000      0.175269000000
  H                                                 2.586225000000     -1.466945000000     -1.163587000000
  H                                                -0.606306000000      0.843541000000      2.122338000000
  H                                                -1.247840000000      2.135964000000      0.999440000000
  H                                                -1.522526000000     -2.099396000000     -0.176207000000
  H                                                -2.585918000000     -1.467289000000      1.163367000000
  H                                                -2.410375000000     -0.306923000000     -1.726447000000
  H                                                -3.473450000000      0.323675000000     -0.386186000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1
 NAtoms=     21 NQM=       21 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          12          12          12           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000   1.0078250
 NucSpn=           0           0           0           0           0           0           0           0           0           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   1.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=           1           1           1           1           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        21
 IAtWgt=           1
 AtmWgt=   1.0078250
 NucSpn=           1
 AtZEff=   1.0000000
 NQMom=    0.0000000
 NMagM=    2.7928460
 AtZNuc=   1.0000000
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Thu Jul 22 18:03:49 2021, MaxMem=  5637144576 cpu:               0.9 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.850997    1.132902   -1.105650
      2          6           0        1.349583    0.074712   -0.171197
      3          6           0        0.000033    0.589081   -0.000049
      4          6           0        2.545757   -0.163361    0.661658
      5          6           0        2.010439   -1.243659   -0.273932
      6          6           0       -0.850800    1.132550    1.105829
      7          6           0       -1.349503    0.074646    0.171128
      8          6           0       -2.010462   -1.243726    0.273569
      9          6           0       -2.545996   -0.163032   -0.661407
     10          1           0        1.247956    2.136318   -0.998967
     11          1           0        0.606749    0.844078   -2.122271
     12          1           0        2.409697   -0.307621    1.726593
     13          1           0        3.473352    0.323369    0.386964
     14          1           0        1.522142   -2.099447    0.175269
     15          1           0        2.586225   -1.466945   -1.163587
     16          1           0       -0.606306    0.843541    2.122338
     17          1           0       -1.247840    2.135964    0.999440
     18          1           0       -1.522526   -2.099396   -0.176207
     19          1           0       -2.585918   -1.467289    1.163367
     20          1           0       -2.410375   -0.306923   -1.726447
     21          1           0       -3.473450    0.323675   -0.386186
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.497183   0.000000
     3  C    1.497409   1.454356   0.000000
     4  C    2.770539   1.476875   2.735825   0.000000
     5  C    2.772021   1.478306   2.734169   1.526086   0.000000
     6  C    2.790475   2.755268   1.497412   3.662414   3.966963
     7  C    2.755407   2.720708   1.454370   3.933232   3.636649
     8  C    3.967185   3.636757   2.734253   4.698610   4.058005
     9  C    3.662835   3.933493   2.735933   5.260841   4.698829
    10  H    1.084344   2.223904   2.224655   3.119373   3.539958
    11  H    1.084709   2.224953   2.221926   3.539060   3.121754
    12  H    3.539245   2.207176   3.097071   1.083240   2.244476
    13  H    3.124098   2.209925   3.504900   1.082957   2.243318
    14  H    3.541083   2.208344   3.094468   2.243388   1.082861
    15  H    3.126272   2.211522   3.502778   2.243321   1.082992
    16  H    3.553501   3.110772   2.221919   3.617035   4.116536
    17  H    3.137300   3.516498   2.224638   4.448862   4.864125
    18  H    4.116458   3.602191   3.094693   4.582704   3.636437
    19  H    4.870505   4.432493   3.502761   5.318461   4.821031
    20  H    3.618706   4.086775   3.097312   5.503354   4.746669
    21  H    4.457950   4.834237   3.504943   6.129114   5.704575
                    6          7          8          9         10
     6  C    0.000000
     7  C    1.497175   0.000000
     8  C    2.772032   1.478332   0.000000
     9  C    2.770441   1.476889   1.526066   0.000000
    10  H    3.137275   3.516590   4.864292   4.449160   0.000000
    11  H    3.553631   3.111049   4.116888   3.617761   1.828344
    12  H    3.618049   4.086219   4.746091   5.502939   3.840724
    13  H    4.457559   4.834085   5.704460   6.129292   3.187472
    14  H    4.116139   3.601811   3.636099   4.582519   4.404056
    15  H    4.870397   4.432598   4.821284   5.319029   3.847281
    16  H    1.084709   2.225031   3.121904   3.539043   3.853843
    17  H    1.084343   2.223841   3.539885   3.119135   3.197285
    18  H    3.541230   2.208401   1.082844   2.243305   5.127746
    19  H    3.126197   2.211521   1.082991   2.243319   5.688608
    20  H    3.539229   2.207223   2.244459   1.083240   4.458928
    21  H    3.123889   2.209924   2.243291   1.082959   5.094394
                   11         12         13         14         15
    11  H    0.000000
    12  H    4.403497   0.000000
    13  H    3.845102   1.823216   0.000000
    14  H    3.844603   2.530810   3.118024   0.000000
    15  H    3.190333   3.119028   2.529116   1.823422   0.000000
    16  H    4.414545   3.252393   4.463822   4.120989   5.131072
    17  H    3.854030   4.458412   5.094142   5.127452   5.688558
    18  H    4.121288   4.721598   5.580838   3.064888   4.272792
    19  H    5.131370   5.159285   6.365847   4.272250   5.671488
    20  H    3.253385   5.929298   6.283472   4.721690   5.160278
    21  H    4.464620   6.282817   6.989694   5.580564   6.366344
                   16         17         18         19         20
    16  H    0.000000
    17  H    1.828339   0.000000
    18  H    3.844951   4.404075   0.000000
    19  H    3.190364   3.847175   1.823409   0.000000
    20  H    4.403564   3.840527   2.530707   3.119021   0.000000
    21  H    3.844928   3.187113   3.117927   2.529106   1.823206
                   21
    21  H    0.000000
 Stoichiometry    C9H12
 Framework group  C1[X(C9H12)]
 Deg. of freedom    57
 Full point group                 C1      NOp   1
 RotChk:  IX=3 Diff= 2.86D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.850997    1.132902   -1.105650
      2          6           0        1.349583    0.074712   -0.171197
      3          6           0        0.000033    0.589081   -0.000049
      4          6           0        2.545757   -0.163361    0.661658
      5          6           0        2.010439   -1.243659   -0.273932
      6          6           0       -0.850800    1.132550    1.105829
      7          6           0       -1.349503    0.074646    0.171128
      8          6           0       -2.010462   -1.243726    0.273569
      9          6           0       -2.545996   -0.163032   -0.661407
     10          1           0        1.247956    2.136318   -0.998967
     11          1           0        0.606749    0.844078   -2.122271
     12          1           0        2.409697   -0.307621    1.726593
     13          1           0        3.473352    0.323369    0.386964
     14          1           0        1.522142   -2.099447    0.175269
     15          1           0        2.586225   -1.466945   -1.163587
     16          1           0       -0.606306    0.843541    2.122338
     17          1           0       -1.247840    2.135964    0.999440
     18          1           0       -1.522526   -2.099396   -0.176207
     19          1           0       -2.585918   -1.467289    1.163367
     20          1           0       -2.410375   -0.306923   -1.726447
     21          1           0       -3.473450    0.323675   -0.386186
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           3.1657619           1.1638082           1.0780134
 Leave Link  202 at Thu Jul 22 18:03:50 2021, MaxMem=  5637144576 cpu:               0.1 elap:               0.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:      10     11     12     13     14     15     16     17     18     19
 Centers:      20     21
 S 3 1.00
     Exponent=  3.4061341000D+01 Coefficients=  6.0251978000D-03
     Exponent=  5.1235746000D+00 Coefficients=  4.5021094000D-02
     Exponent=  1.1646626000D+00 Coefficients=  2.0189726000D-01
 S 1 1.00
     Exponent=  3.2723041000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.0307241000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  9.5774129632D-02 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      7      8      9
 S 6 1.00
     Exponent=  1.3575349682D+04 Coefficients=  2.2245814352D-04
     Exponent=  2.0352333680D+03 Coefficients=  1.7232738252D-03
     Exponent=  4.6322562359D+02 Coefficients=  8.9255715314D-03
     Exponent=  1.3120019598D+02 Coefficients=  3.5727984502D-02
     Exponent=  4.2853015891D+01 Coefficients=  1.1076259931D-01
     Exponent=  1.5584185766D+01 Coefficients=  2.4295627626D-01
 S 2 1.00
     Exponent=  6.2067138508D+00 Coefficients=  4.1440263448D-01
     Exponent=  2.5764896527D+00 Coefficients=  2.3744968655D-01
 S 1 1.00
     Exponent=  5.7696339419D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.2972831358D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  9.5164440028D-02 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.8475401370D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  3.4697232244D+01 Coefficients=  5.3333657805D-03
     Exponent=  7.9582622826D+00 Coefficients=  3.5864109092D-02
     Exponent=  2.3780826883D+00 Coefficients=  1.4215873329D-01
     Exponent=  8.1433208183D-01 Coefficients=  3.4270471845D-01
 P 1 1.00
     Exponent=  2.8887547253D-01 Coefficients=  4.6445822433D-01
 P 1 1.00
     Exponent=  1.0056823671D-01 Coefficients=  2.4955789874D-01
 D 1 1.00
     Exponent=  1.0970000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.1800000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  9.0985336424D-02 Coefficients=  1.0000000000D+00
 F 1 1.00
     Exponent=  7.6100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are   495 symmetry adapted cartesian basis functions of A   symmetry.
 There are   441 symmetry adapted basis functions of A   symmetry.
   441 basis functions,   654 primitive gaussians,   495 cartesian basis functions
    33 alpha electrons       33 beta electrons
       nuclear repulsion energy       431.2966651839 Hartrees.
 IExCor=  402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX=  0.200000
 ScaDFX=  0.800000  0.720000  1.000000  0.810000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=141
 NAtoms=   21 NActive=   21 NUniq=   21 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D3(BJ) Dispersion energy=       -0.0310334547 Hartrees.
 Nuclear repulsion after empirical dispersion term =      431.2656317293 Hartrees.
 Leave Link  301 at Thu Jul 22 18:03:50 2021, MaxMem=  5637144576 cpu:               5.2 elap:               0.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   441 RedAO= T EigKep=  1.38D-06  NBF=   441
 NBsUse=   439 1.00D-06 EigRej=  9.93D-07 NBFU=   439
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   493   493   493   493   493 MxSgAt=    21 MxSgA2=    21.
 Leave Link  302 at Thu Jul 22 18:03:51 2021, MaxMem=  5637144576 cpu:               3.4 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Jul 22 18:03:51 2021, MaxMem=  5637144576 cpu:               0.8 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "03_trispirononane_STD_B3LYPDBJ-def2TZVPDr.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000   -0.000000   -0.000000
         Rot=    1.000000    0.000000    0.000000   -0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Jul 22 18:03:52 2021, MaxMem=  5637144576 cpu:               4.1 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5637144576 LenX=  5636646155 LenY=  5636400635
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf= 970000000 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=         0 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -350.184077359853    
 DIIS: error= 2.44D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -350.184077359853     IErMin= 1 ErrMin= 2.44D-03
 ErrMax= 2.44D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.01D-03 BMatP= 2.01D-03
 IDIUse=3 WtCom= 9.76D-01 WtEn= 2.44D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.305 Goal=   None    Shift=    0.000
 GapD=    0.305 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=7.04D-03 MaxDP=1.19D+00              OVMax= 5.36D-03

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  7.04D-03    CP:  1.04D+00
 E= -350.184833780204     Delta-E=       -0.000756420351 Rises=F Damp=F
 DIIS: error= 2.50D-05 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -350.184833780204     IErMin= 2 ErrMin= 2.50D-05
 ErrMax= 2.50D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.25D-07 BMatP= 2.01D-03
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.711D-02 0.101D+01
 Coeff:     -0.711D-02 0.101D+01
 Gap=     0.268 Goal=   None    Shift=    0.000
 RMSDP=2.70D-04 MaxDP=5.30D-02 DE=-7.56D-04 OVMax= 3.30D-04

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  1.30D-04    CP:  1.04D+00  1.03D+00
 E= -350.184834763317     Delta-E=       -0.000000983114 Rises=F Damp=F
 DIIS: error= 2.33D-05 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -350.184834763317     IErMin= 3 ErrMin= 2.33D-05
 ErrMax= 2.33D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.30D-07 BMatP= 6.25D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.282D-02 0.370D+00 0.633D+00
 Coeff:     -0.282D-02 0.370D+00 0.633D+00
 Gap=     0.268 Goal=   None    Shift=    0.000
 RMSDP=8.67D-06 MaxDP=1.59D-03 DE=-9.83D-07 OVMax= 1.29D-04

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  5.06D-06    CP:  1.04D+00  1.03D+00  1.03D+00
 E= -350.184834949756     Delta-E=       -0.000000186439 Rises=F Damp=F
 DIIS: error= 1.26D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -350.184834949756     IErMin= 4 ErrMin= 1.26D-05
 ErrMax= 1.26D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.70D-08 BMatP= 2.30D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.129D-03 0.461D-02 0.328D+00 0.668D+00
 Coeff:     -0.129D-03 0.461D-02 0.328D+00 0.668D+00
 Gap=     0.268 Goal=   None    Shift=    0.000
 RMSDP=3.99D-06 MaxDP=6.84D-04 DE=-1.86D-07 OVMax= 5.36D-05

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  1.38D-06    CP:  1.04D+00  1.03D+00  1.05D+00  8.86D-01
 E= -350.184835005528     Delta-E=       -0.000000055772 Rises=F Damp=F
 DIIS: error= 3.10D-06 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -350.184835005528     IErMin= 5 ErrMin= 3.10D-06
 ErrMax= 3.10D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.09D-09 BMatP= 5.70D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.491D-04-0.133D-01 0.159D+00 0.379D+00 0.475D+00
 Coeff:      0.491D-04-0.133D-01 0.159D+00 0.379D+00 0.475D+00
 Gap=     0.268 Goal=   None    Shift=    0.000
 RMSDP=3.19D-07 MaxDP=1.94D-05 DE=-5.58D-08 OVMax= 1.32D-05

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  2.75D-07    CP:  1.04D+00  1.03D+00  1.05D+00  8.94D-01  1.04D+00
 E= -350.184835010127     Delta-E=       -0.000000004599 Rises=F Damp=F
 DIIS: error= 4.76D-07 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -350.184835010127     IErMin= 6 ErrMin= 4.76D-07
 ErrMax= 4.76D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.68D-11 BMatP= 5.09D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.271D-04-0.543D-02 0.392D-01 0.103D+00 0.179D+00 0.684D+00
 Coeff:      0.271D-04-0.543D-02 0.392D-01 0.103D+00 0.179D+00 0.684D+00
 Gap=     0.268 Goal=   None    Shift=    0.000
 RMSDP=8.47D-08 MaxDP=6.86D-06 DE=-4.60D-09 OVMax= 1.78D-06

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  5.98D-08    CP:  1.04D+00  1.03D+00  1.05D+00  8.98D-01  1.06D+00
                    CP:  1.03D+00
 E= -350.184835010210     Delta-E=       -0.000000000083 Rises=F Damp=F
 DIIS: error= 1.77D-07 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -350.184835010210     IErMin= 7 ErrMin= 1.77D-07
 ErrMax= 1.77D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.20D-11 BMatP= 8.68D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.117D-04-0.221D-02 0.130D-01 0.365D-01 0.729D-01 0.358D+00
 Coeff-Com:  0.522D+00
 Coeff:      0.117D-04-0.221D-02 0.130D-01 0.365D-01 0.729D-01 0.358D+00
 Coeff:      0.522D+00
 Gap=     0.268 Goal=   None    Shift=    0.000
 RMSDP=2.05D-08 MaxDP=8.87D-07 DE=-8.27D-11 OVMax= 9.43D-07

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  1.58D-08    CP:  1.04D+00  1.03D+00  1.05D+00  8.99D-01  1.06D+00
                    CP:  1.05D+00  8.65D-01
 E= -350.184835010191     Delta-E=        0.000000000018 Rises=F Damp=F
 DIIS: error= 3.27D-08 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 7 EnMin= -350.184835010210     IErMin= 8 ErrMin= 3.27D-08
 ErrMax= 3.27D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.67D-13 BMatP= 1.20D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.120D-05-0.189D-03 0.148D-03 0.163D-02 0.726D-02 0.545D-01
 Coeff-Com:  0.220D+00 0.717D+00
 Coeff:      0.120D-05-0.189D-03 0.148D-03 0.163D-02 0.726D-02 0.545D-01
 Coeff:      0.220D+00 0.717D+00
 Gap=     0.268 Goal=   None    Shift=    0.000
 RMSDP=6.44D-09 MaxDP=2.18D-07 DE= 1.84D-11 OVMax= 2.04D-07

 SCF Done:  E(RB3LYP) =  -350.184835010     A.U. after    8 cycles
            NFock=  8  Conv=0.64D-08     -V/T= 2.0056
 KE= 3.482404078807D+02 PE=-1.673328197916D+03 EE= 5.436373232956D+02
 Leave Link  502 at Thu Jul 22 18:06:15 2021, MaxMem=  5637144576 cpu:            1142.4 elap:             143.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   439
 NBasis=   441 NAE=    33 NBE=    33 NFC=     0 NFV=     0
 NROrb=    439 NOA=    33 NOB=    33 NVA=   406 NVB=   406

 **** Warning!!: The largest alpha MO coefficient is  0.33233850D+03

 Leave Link  801 at Thu Jul 22 18:06:15 2021, MaxMem=  5637144576 cpu:               0.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         6357 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5637144576 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          21
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 2.23D-13 8.33D-09 XBig12= 1.00D+00 2.17D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 2.23D-13 8.33D-09 XBig12= 2.08D-01 8.48D-02.
     11 vectors produced by pass  2 Test12= 2.23D-13 8.33D-09 XBig12= 5.56D-02 3.22D-02.
     11 vectors produced by pass  3 Test12= 2.23D-13 8.33D-09 XBig12= 3.64D-03 1.24D-02.
     11 vectors produced by pass  4 Test12= 2.23D-13 8.33D-09 XBig12= 1.34D-04 3.44D-03.
     11 vectors produced by pass  5 Test12= 2.23D-13 8.33D-09 XBig12= 2.63D-05 7.50D-04.
     11 vectors produced by pass  6 Test12= 2.23D-13 8.33D-09 XBig12= 5.35D-07 1.35D-04.
     11 vectors produced by pass  7 Test12= 2.23D-13 8.33D-09 XBig12= 9.80D-09 1.38D-05.
     10 vectors produced by pass  8 Test12= 2.23D-13 8.33D-09 XBig12= 1.31D-10 2.00D-06.
      5 vectors produced by pass  9 Test12= 2.23D-13 8.33D-09 XBig12= 1.14D-12 1.28D-07.
      1 vectors produced by pass 10 Test12= 2.23D-13 8.33D-09 XBig12= 1.77D-14 2.02D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 6.39D-14
 Solved reduced A of dimension   104 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.124495D+03
      2 -0.309073D-03  0.100260D+03
      3  0.152344D+01  0.110427D-03  0.948415D+02
 Isotropic polarizability for W=    0.085645      106.53 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.179417D-01 -0.273259D+02 -0.373804D-02
      2   0.557121D-02 -0.767358D+01 -0.112538D-01
      3   0.123705D-01  0.349994D+02  0.149919D-01
      4  -0.291817D+02 -0.124661D-02 -0.106637D+01
      5  -0.293967D-02  0.217310D+01  0.129169D-01
      6  -0.229479D+01 -0.133376D-01  0.174703D+02
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1   0.867764D+01 -0.388280D-03  0.174024D+01
      2  -0.170774D-02 -0.283789D+01  0.371937D-02
      3   0.275760D+02 -0.521612D-03 -0.371231D+01
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1   0.323947D+01 -0.208374D-02  0.175292D+02
      2  -0.798372D-03  0.122842D+01  0.546495D-03
      3  -0.185579D+01  0.681782D-02 -0.446789D+01
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1  -0.246523D+01  0.163740D-03 -0.536989D+01
      2   0.163740D-03  0.278977D+01  0.121099D-03
      3  -0.536989D+01  0.121099D-03  0.180290D+01
 OR G Eigenvalues:    -6.1096     2.7898     5.4472  Iso=    -0.7091
 Eigenvectors:
   (1)   0.827441  -0.000023   0.561553
   (2)   0.000021   1.000000   0.000010
   (3)  -0.561553   0.000003   0.827441
 w=    0.085645 a.u., Optical Rotation Beta=     -0.7091 au.
 Molar Mass =    120.1938 grams/mole, [Alpha] ( 5320.0 A) =     -279.82 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   97461 ScalPx= 7.52D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   97461 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 1.62D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 3.72D-14 2.78D-09 XBig12= 1.00D+00 4.14D-01.
     30 vectors produced by pass  1 Test12= 3.72D-14 2.78D-09 XBig12= 2.94D-02 2.68D-02.
     30 vectors produced by pass  2 Test12= 3.72D-14 2.78D-09 XBig12= 1.28D-03 5.51D-03.
     30 vectors produced by pass  3 Test12= 3.72D-14 2.78D-09 XBig12= 1.44D-05 4.12D-04.
     30 vectors produced by pass  4 Test12= 3.72D-14 2.78D-09 XBig12= 1.68D-07 4.54D-05.
     30 vectors produced by pass  5 Test12= 3.72D-14 2.78D-09 XBig12= 6.93D-10 2.72D-06.
     30 vectors produced by pass  6 Test12= 3.72D-14 2.78D-09 XBig12= 1.84D-12 1.55D-07.
      5 vectors produced by pass  7 Test12= 3.72D-14 2.78D-09 XBig12= 5.37D-15 8.23D-09.
      1 vectors produced by pass  8 Test12= 3.72D-14 2.78D-09 XBig12= 1.49D-15 4.66D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 2.00D-15
 Solved reduced A of dimension   216 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   97461 ScalPx= 2.80D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   97461 ScalPx= 2.80D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   97461 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 3.53D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.124495D+03 -0.309073D-03  0.152344D+01
      2  -0.309073D-03  0.100260D+03  0.110427D-03
      3   0.152344D+01  0.110427D-03  0.948415D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.867764D+01 -0.388280D-03  0.174024D+01
      2  -0.170774D-02 -0.283789D+01  0.371937D-02
      3   0.275760D+02 -0.521612D-03 -0.371231D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.179417D-01 -0.273259D+02 -0.373804D-02
      2   0.557121D-02 -0.767358D+01 -0.112538D-01
      3   0.123705D-01  0.349994D+02  0.149919D-01
      4  -0.291817D+02 -0.124661D-02 -0.106637D+01
      5  -0.293967D-02  0.217310D+01  0.129169D-01
      6  -0.229479D+01 -0.133376D-01  0.174703D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    63 ND12= 1 LenFil=    2271:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.403857D+01  0.341038D+01 -0.584458D+01 -0.125020D+01 -0.362353D+01
      2   0.341038D+01 -0.468139D+01  0.103341D+01 -0.362353D+01 -0.281112D+01
      3  -0.584458D+01  0.103341D+01  0.303560D+01  0.215130D+01 -0.133914D+01
                 6             7             8             9            10 
      1   0.215130D+01 -0.225665D+01 -0.124098D+01  0.195211D+01 -0.712908D-01
      2  -0.133914D+01 -0.124098D+01 -0.284663D+01  0.244672D+01  0.867532D+00
      3   0.350736D+01  0.195211D+01  0.244672D+01  0.304236D+01 -0.155218D+01
                11            12            13            14            15 
      1   0.867532D+00 -0.155218D+01  0.295319D+01 -0.987513D+00 -0.322320D+01
      2   0.161907D+00  0.534518D+00 -0.987513D+00  0.121472D+01  0.141642D+01
      3   0.534518D+00 -0.420137D-01 -0.322320D+01  0.141642D+01 -0.151063D+01
                16            17            18            19            20 
      1  -0.598727D+01 -0.120371D+01  0.161778D+01 -0.131445D-02 -0.748055D+00
      2  -0.120371D+01  0.315889D+01 -0.116960D+01 -0.748055D+00 -0.203057D-04
      3   0.161778D+01 -0.116960D+01 -0.322030D-01 -0.472764D-04  0.155400D+00
                21            22            23            24            25 
      1  -0.472764D-04  0.199037D+01 -0.199991D-02  0.376675D+01  0.896271D-03
      2   0.155400D+00 -0.199991D-02  0.100409D+01  0.873393D-04  0.560407D+01
      3   0.146333D-03  0.376675D+01  0.873393D-04 -0.232733D+01  0.226063D-02
                26            27            28            29            30 
      1   0.560407D+01  0.226063D-02  0.396279D+00 -0.379411D+01  0.319087D+01
      2   0.393715D-03 -0.114606D+01 -0.379411D+01 -0.280989D+00 -0.396386D+00
      3  -0.114606D+01 -0.140817D-02  0.319087D+01 -0.396386D+00  0.226159D+01
                31            32            33            34            35 
      1  -0.664294D+01  0.256477D+01 -0.244154D+00  0.470818D+01  0.152911D+01
      2   0.256477D+01  0.227390D+01  0.333401D+01  0.152911D+01  0.211319D+01
      3  -0.244154D+00  0.333401D+01  0.261197D+01  0.619180D+00  0.175950D+01
                36            37            38            39            40 
      1   0.619180D+00  0.159052D+01 -0.307821D+01  0.869726D+00 -0.237487D+01
      2   0.175950D+01 -0.307821D+01  0.331997D+01 -0.359773D+01  0.262051D+01
      3  -0.351252D+01  0.869726D+00 -0.359773D+01 -0.368075D+01 -0.114345D+01
                41            42            43            44            45 
      1   0.262051D+01 -0.114345D+01  0.288315D+01 -0.458251D+01 -0.302978D+01
      2  -0.193630D+01 -0.239398D+01 -0.458251D+01 -0.233901D+01  0.474698D-01
      3  -0.239398D+01 -0.530400D+00 -0.302978D+01  0.474698D-01  0.702039D+00
                46            47            48            49            50 
      1  -0.403776D+01  0.340757D+01  0.584418D+01 -0.125045D+01  0.362418D+01
      2   0.340757D+01  0.468075D+01  0.103486D+01  0.362418D+01 -0.281235D+01
      3   0.584418D+01  0.103486D+01 -0.303785D+01  0.215326D+01  0.133618D+01
                51            52            53            54            55 
      1   0.215326D+01  0.225484D+01 -0.124010D+01 -0.195481D+01  0.775141D-01
      2   0.133618D+01 -0.124010D+01  0.284359D+01  0.244786D+01  0.867680D+00
      3   0.350729D+01 -0.195481D+01  0.244786D+01 -0.303845D+01  0.155267D+01
                56            57            58            59            60 
      1   0.867680D+00  0.155267D+01  0.295133D+01  0.988931D+00 -0.322243D+01
      2  -0.162581D+00  0.534151D+00  0.988931D+00  0.121765D+01 -0.141467D+01
      3   0.534151D+00  0.422445D-01 -0.322243D+01 -0.141467D+01 -0.151058D+01
                61            62            63            64            65 
      1   0.598810D+01 -0.120355D+01 -0.162007D+01 -0.159253D+01 -0.308201D+01
      2  -0.120355D+01 -0.315742D+01 -0.117130D+01 -0.308201D+01 -0.331597D+01
      3  -0.162007D+01 -0.117130D+01  0.309530D-01 -0.868880D+00 -0.359942D+01
                66            67            68            69            70 
      1  -0.868880D+00 -0.237646D+01 -0.261715D+01 -0.114495D+01 -0.288229D+01
      2  -0.359942D+01 -0.261715D+01 -0.193851D+01  0.239496D+01 -0.458329D+01
      3   0.367757D+01 -0.114495D+01  0.239496D+01 -0.527289D+00  0.302764D+01
                71            72            73            74            75 
      1  -0.458329D+01  0.302764D+01 -0.403493D+00 -0.379298D+01 -0.319339D+01
      2   0.234022D+01  0.521883D-01 -0.379298D+01  0.281778D+00 -0.393890D+00
      3   0.521883D-01 -0.706153D+00 -0.319339D+01 -0.393890D+00 -0.225823D+01
                76            77            78            79            80 
      1  -0.664112D+01 -0.256545D+01 -0.242492D+00 -0.471089D+01  0.153095D+01
      2  -0.256545D+01  0.227702D+01 -0.333411D+01  0.153095D+01 -0.211375D+01
      3  -0.242492D+00 -0.333411D+01  0.260837D+01 -0.614344D+00  0.175648D+01
                81            82            83            84            85 
      1  -0.614344D+00  0.167169D+01  0.158956D+01 -0.176098D+00  0.308205D+01
      2   0.175648D+01  0.158956D+01  0.345959D+01 -0.904565D+00  0.319541D+01
      3   0.351698D+01 -0.176098D+00 -0.904565D+00  0.354967D+00 -0.102781D+01
                86            87            88            89            90 
      1   0.319541D+01 -0.102781D+01  0.113201D+01 -0.186525D-01  0.224071D+00
      2   0.997479D+01 -0.222026D+01 -0.186525D-01  0.511080D+00  0.118141D+01
      3  -0.222026D+01  0.181301D+01  0.224071D+00  0.118141D+01 -0.124069D+01
                91            92            93            94            95 
      1  -0.969477D+00 -0.811253D-01 -0.243811D+00 -0.104166D+01  0.588396D+00
      2  -0.811253D-01  0.229625D+00  0.375075D-01  0.588396D+00  0.472366D+00
      3  -0.243811D+00  0.375075D-01 -0.178867D+01 -0.304089D+00 -0.115550D+01
                96            97            98            99           100 
      1  -0.304089D+00 -0.171767D+01  0.618327D-01 -0.210033D+00  0.916914D+00
      2  -0.115550D+01  0.618327D-01 -0.157328D+01  0.113480D+01  0.636611D+00
      3  -0.195558D+01 -0.210033D+00  0.113480D+01 -0.105470D+02  0.767742D+00
               101           102           103           104           105 
      1   0.636611D+00  0.767742D+00  0.658612D+00  0.323443D+00  0.202186D+00
      2  -0.247481D+00  0.289545D+00  0.323443D+00 -0.592099D+00  0.594315D+00
      3   0.289545D+00 -0.477279D+00  0.202186D+00  0.594315D+00 -0.105740D+01
               106           107           108           109           110 
      1   0.260817D+01 -0.342495D+00  0.288911D+01  0.111964D+02  0.294740D+01
      2  -0.342495D+00  0.117269D+01 -0.802736D+00  0.294740D+01  0.181647D+01
      3   0.288911D+01 -0.802736D+00  0.966330D+01  0.573748D+00  0.211182D+00
               111           112           113           114           115 
      1   0.573748D+00  0.547878D+01  0.197291D+01  0.255191D+00 -0.222174D+01
      2   0.211182D+00  0.197291D+01  0.137550D+01 -0.185929D+00 -0.399560D+00
      3   0.108809D+01  0.255191D+00 -0.185929D+00  0.627975D+00  0.145200D+01
               116           117           118           119           120 
      1  -0.399560D+00  0.145200D+01 -0.116687D+01 -0.508066D+00  0.588750D-01
      2  -0.935796D+00  0.239895D+00 -0.508066D+00 -0.296473D+01  0.100352D+01
      3   0.239895D+00  0.495585D+00  0.588750D-01  0.100352D+01 -0.308271D+00
               121           122           123           124           125 
      1  -0.125136D+01 -0.354777D+00  0.409524D+00  0.760433D+00  0.771208D+00
      2  -0.354777D+00 -0.789951D+01  0.110057D+01  0.771208D+00  0.240653D+01
      3   0.409524D+00  0.110057D+01 -0.127466D+01  0.343955D+00 -0.154062D+01
               126           127           128           129           130 
      1   0.343955D+00  0.348684D+01 -0.161475D+01 -0.228947D+01 -0.605989D+00
      2  -0.154062D+01 -0.161475D+01  0.136955D+01  0.171113D+01  0.125652D+01
      3   0.900991D+00 -0.228947D+01  0.171113D+01  0.285755D+01  0.104057D+01
               131           132           133           134           135 
      1   0.125652D+01  0.104057D+01 -0.433435D+01  0.262337D+01  0.361351D+01
      2  -0.257391D+01 -0.145329D+01  0.262337D+01 -0.276389D+01 -0.272347D+01
      3  -0.145329D+01 -0.106810D+01  0.361351D+01 -0.272347D+01 -0.533711D+01
               136           137           138           139           140 
      1   0.970777D+00 -0.810847D-01  0.243936D+00 -0.104209D+01 -0.588127D+00
      2  -0.810847D-01 -0.229163D+00  0.374272D-01 -0.588127D+00  0.471622D+00
      3   0.243936D+00  0.374272D-01  0.179089D+01 -0.304600D+00  0.115591D+01
               141           142           143           144           145 
      1  -0.304600D+00  0.171743D+01  0.619242D-01  0.212235D+00 -0.167227D+01
      2   0.115591D+01  0.619242D-01  0.157284D+01  0.113302D+01  0.158954D+01
      3  -0.195649D+01  0.212235D+00  0.113302D+01  0.105454D+02  0.176694D+00
               146           147           148           149           150 
      1   0.158954D+01  0.176694D+00  0.308232D+01 -0.319495D+01 -0.102846D+01
      2  -0.345942D+01 -0.905331D+00 -0.319495D+01  0.997242D+01  0.222180D+01
      3  -0.905331D+00 -0.355379D+00 -0.102846D+01  0.222180D+01  0.181370D+01
               151           152           153           154           155 
      1  -0.113082D+01 -0.192067D-01 -0.224020D+00  0.116534D+01 -0.507056D+00
      2  -0.192067D-01 -0.508727D+00  0.118151D+01 -0.507056D+00  0.296168D+01
      3  -0.224020D+00  0.118151D+01  0.124154D+01 -0.592833D-01  0.100437D+01
               156           157           158           159           160 
      1  -0.592833D-01 -0.125083D+01  0.352747D+00  0.409587D+00 -0.761538D+00
      2   0.100437D+01  0.352747D+00 -0.789877D+01 -0.110381D+01  0.770725D+00
      3   0.308681D+00  0.409587D+00 -0.110381D+01 -0.127569D+01 -0.343774D+00
               161           162           163           164           165 
      1   0.770725D+00 -0.343774D+00 -0.348317D+01 -0.161372D+01  0.228762D+01
      2  -0.241064D+01 -0.154272D+01 -0.161372D+01 -0.136970D+01  0.171115D+01
      3  -0.154272D+01 -0.903175D+00  0.228762D+01  0.171115D+01 -0.285554D+01
               166           167           168           169           170 
      1  -0.606545D+00 -0.125729D+01  0.104108D+01  0.433317D+01  0.262383D+01
      2  -0.125729D+01 -0.257578D+01  0.145376D+01  0.262383D+01  0.276532D+01
      3   0.104108D+01  0.145376D+01 -0.106923D+01 -0.361217D+01 -0.272496D+01
               171           172           173           174           175 
      1  -0.361217D+01 -0.918359D+00  0.636918D+00 -0.768146D+00  0.659575D+00
      2  -0.272496D+01  0.636918D+00  0.246736D+00  0.289084D+00 -0.323803D+00
      3   0.533780D+01 -0.768146D+00  0.289084D+00  0.474439D+00  0.202411D+00
               176           177           178           179           180 
      1  -0.323803D+00  0.202411D+00 -0.260973D+01 -0.342059D+00 -0.289226D+01
      2  -0.591285D+00 -0.593997D+00 -0.342059D+00 -0.117247D+01 -0.799981D+00
      3  -0.593997D+00 -0.105461D+01 -0.289226D+01 -0.799981D+00 -0.966420D+01
               181           182           183           184           185 
      1  -0.111943D+02  0.294797D+01 -0.570194D+00  0.547828D+01 -0.197322D+01
      2   0.294797D+01 -0.181662D+01  0.210070D+00 -0.197322D+01  0.137555D+01
      3  -0.570194D+00  0.210070D+00 -0.108778D+01  0.253773D+00  0.186687D+00
               186           187           188           189 
      1   0.253773D+00  0.222656D+01 -0.400909D+00 -0.145260D+01
      2   0.186687D+00 -0.400909D+00  0.936868D+00  0.240610D+00
      3   0.628298D+00 -0.145260D+01  0.240610D+00 -0.494026D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.437957D+01  0.533945D+01 -0.704971D+01  0.571036D+01  0.905884D+01
      2  -0.204272D+01  0.247971D+01  0.184998D+01  0.468492D+01 -0.786484D+01
      3   0.304283D+00  0.481433D+01 -0.720815D+01  0.637571D+01 -0.277878D+01
                 6             7             8             9            10 
      1  -0.828266D+01 -0.347762D+01  0.429169D+01 -0.103684D+02 -0.265684D+00
      2   0.621057D+01 -0.511565D+01  0.227432D+01  0.680057D+01 -0.144981D+01
      3   0.374016D+01 -0.647523D+01  0.257064D+01  0.947693D+00  0.399924D+01
                11            12            13            14            15 
      1   0.124047D+01  0.290965D+01 -0.246932D+01  0.466870D+00 -0.430073D+01
      2  -0.190703D+00  0.429211D+01 -0.219650D+01  0.246587D+01 -0.598241D+01
      3  -0.832572D+01 -0.928617D-01  0.134954D+02 -0.292231D+01 -0.229350D+01
                16            17            18            19            20 
      1  -0.747472D+01  0.411715D+01  0.530111D+00  0.150365D-02 -0.258515D+01
      2  -0.950160D+01  0.194128D+01  0.261792D+00 -0.350204D+01 -0.766571D-03
      3  -0.733297D+00 -0.691376D+01  0.343352D+01 -0.375135D-03 -0.595386D+01
                21            22            23            24            25 
      1  -0.784412D-04  0.348566D+01 -0.500266D-03 -0.487952D+00 -0.133056D-02
      2   0.635154D+01 -0.716840D-04 -0.723093D+00  0.427763D-03 -0.142383D+02
      3   0.191561D-03  0.144622D+02 -0.317205D-02 -0.233683D+00  0.593289D-03
                26            27            28            29            30 
      1   0.361078D+01  0.223983D-02 -0.402188D+01  0.132079D+01  0.857297D-01
      2  -0.386188D-03  0.610058D+00  0.138001D+02  0.253684D+01  0.915366D+01
      3   0.625744D+01  0.235948D-02  0.105228D+02 -0.273498D+01  0.826877D+00
                31            32            33            34            35 
      1  -0.163008D+01  0.449271D+01  0.820939D+00  0.272259D+01  0.513297D+01
      2   0.475906D+01  0.100526D+02  0.872535D+01 -0.600573D+01  0.433530D+01
      3  -0.345163D+01 -0.945433D+01 -0.996090D+01 -0.333317D+01 -0.921837D+01
                36            37            38            39            40 
      1   0.294534D+01  0.193036D+01 -0.893752D+01 -0.442269D+01 -0.499985D+01
      2  -0.134731D+02 -0.620410D+00 -0.802959D+01 -0.645073D+01 -0.494888D+01
      3  -0.714186D+01  0.847506D+01 -0.883672D+01  0.798159D+01  0.134307D+01
                41            42            43            44            45 
      1  -0.503339D+01 -0.311895D+01 -0.660931D+01  0.650889D+01  0.116837D+01
      2  -0.388457D+01 -0.273842D+01 -0.772851D+01 -0.185890D+01 -0.546951D+00
      3  -0.786095D+00  0.102811D+02  0.956002D+01  0.142964D+02  0.703893D+01
                46            47            48            49            50 
      1  -0.438128D+01  0.533816D+01  0.705507D+01  0.570943D+01 -0.905667D+01
      2  -0.204249D+01 -0.247878D+01  0.185168D+01 -0.468461D+01 -0.786242D+01
      3  -0.304840D+00  0.480929D+01  0.720817D+01  0.637183D+01  0.277679D+01
                51            52            53            54            55 
      1  -0.828603D+01  0.348587D+01  0.428586D+01  0.103622D+02  0.265814D+00
      2  -0.621281D+01 -0.511246D+01 -0.227793D+01  0.679879D+01 -0.145055D+01
      3   0.373919D+01  0.647381D+01  0.256964D+01 -0.950252D+00 -0.399828D+01
                56            57            58            59            60 
      1   0.123976D+01 -0.290987D+01 -0.247119D+01 -0.467471D+00 -0.429984D+01
      2   0.191203D+00  0.429227D+01  0.219598D+01  0.246312D+01  0.598192D+01
      3  -0.832670D+01  0.926310D-01  0.134958D+02  0.292744D+01 -0.228935D+01
                61            62            63            64            65 
      1   0.747443D+01  0.411638D+01 -0.528580D+00 -0.192710D+01 -0.893596D+01
      2  -0.949967D+01 -0.193805D+01  0.263858D+00 -0.620865D+00  0.803533D+01
      3   0.734720D+00 -0.691154D+01 -0.343723D+01 -0.848316D+01 -0.881917D+01
                66            67            68            69            70 
      1   0.441889D+01 -0.499877D+01  0.503510D+01 -0.311231D+01  0.660763D+01
      2  -0.644403D+01  0.495197D+01 -0.389021D+01  0.273106D+01 -0.772380D+01
      3  -0.798958D+01  0.135908D+01  0.773310D+00  0.102884D+02 -0.956398D+01
                71            72            73            74            75 
      1   0.651802D+01 -0.117275D+01  0.401984D+01  0.132006D+01 -0.867857D-01
      2   0.184599D+01 -0.534447D+00  0.138027D+02 -0.254359D+01  0.914096D+01
      3   0.143035D+02 -0.702329D+01 -0.105204D+02 -0.273623D+01 -0.819303D+00
                76            77            78            79            80 
      1  -0.162915D+01 -0.449267D+01  0.818135D+00 -0.272519D+01  0.512990D+01
      2  -0.476271D+01  0.100532D+02 -0.871279D+01 -0.602322D+01 -0.432281D+01
      3  -0.345604D+01  0.946704D+01 -0.996338D+01  0.333681D+01 -0.922024D+01
                81            82            83            84            85 
      1  -0.294226D+01 -0.258112D+01 -0.386672D+01 -0.297099D+00 -0.269756D+01
      2  -0.134842D+02  0.193439D+01  0.955308D+00  0.109435D+01  0.278826D+01
      3   0.713135D+01  0.129900D+01 -0.348432D+01  0.872850D+00  0.464823D+01
                86            87            88            89            90 
      1  -0.114475D+02 -0.227564D+01 -0.434834D+00 -0.145180D+01  0.384757D+00
      2   0.181828D+01  0.152693D+01 -0.214294D+00  0.132222D+01 -0.992416D+00
      3  -0.478595D+01  0.590926D+00  0.144468D+01 -0.156496D+00 -0.710811D+00
                91            92            93            94            95 
      1   0.151844D+01 -0.227775D-02  0.326449D+01 -0.367010D+00  0.139904D+01
      2  -0.279325D+01 -0.322385D+00 -0.980992D+00 -0.203273D+01 -0.729812D+00
      3  -0.760036D+00 -0.465508D+00 -0.335780D+00 -0.452000D+00  0.134283D-01
                96            97            98            99           100 
      1   0.339474D+01  0.328012D+00  0.366242D+01  0.142421D+02  0.107768D+01
      2  -0.297381D+01 -0.636125D+01  0.115407D+01 -0.113969D+02  0.245961D+01
      3   0.392522D+00 -0.247397D+01  0.115871D+01 -0.148770D+01 -0.147481D+01
               101           102           103           104           105 
      1   0.253133D-02  0.407133D+00  0.184126D+00 -0.803325D+00 -0.775452D+00
      2   0.337870D+00 -0.150770D+01 -0.366042D+00  0.171202D+01 -0.352512D+01
      3  -0.172159D+00 -0.124244D+01 -0.347663D+00  0.157843D+01 -0.135486D+01
               106           107           108           109           110 
      1   0.102155D-01  0.426793D+01  0.141773D+01  0.353667D+01  0.184747D+01
      2   0.288738D+01 -0.202128D+01  0.274494D+02 -0.704217D+01 -0.143186D+01
      3   0.786662D+00 -0.387816D+01  0.218027D+01 -0.861733D+01 -0.890655D+01
               111           112           113           114           115 
      1  -0.671161D+00  0.231610D+01  0.124534D+01 -0.108613D+01 -0.484242D+00
      2   0.579619D+01 -0.303324D+01 -0.218823D+01  0.258989D+01  0.488731D+01
      3  -0.810533D+00 -0.340122D+01 -0.434870D+01  0.540477D+00  0.922806D+00
               116           117           118           119           120 
      1   0.384137D+00  0.752699D+00  0.100118D+01  0.290238D+01 -0.179168D+01
      2   0.128308D+01  0.424313D+00  0.672255D+00  0.143713D+01 -0.113793D+00
      3   0.271966D+01 -0.701500D+00  0.568923D+01  0.830226D+01 -0.322437D+01
               121           122           123           124           125 
      1   0.517331D+00  0.460103D+01 -0.523484D+01  0.479898D+00 -0.259653D+01
      2   0.678140D+00  0.188543D+01 -0.201861D+01 -0.204794D+00 -0.302941D+01
      3   0.605005D+01  0.213077D+02 -0.357817D+01 -0.398387D+01 -0.784707D+01
               126           127           128           129           130 
      1   0.263760D+01 -0.357804D+01  0.144587D+01  0.474901D+01  0.131186D+01
      2   0.140847D+01 -0.278441D+01  0.357916D+01  0.740115D+01  0.172318D+01
      3   0.382891D+01 -0.156982D+01 -0.227901D+01 -0.119046D+01 -0.367606D+00
               131           132           133           134           135 
      1  -0.836116D+00 -0.260702D+01  0.457762D+01 -0.105511D+01 -0.814812D+01
      2  -0.290447D+01 -0.269787D+01  0.335243D+01 -0.467702D+01 -0.106238D+02
      3   0.532641D+01  0.214142D+01  0.223833D+00  0.413900D+01  0.153783D+01
               136           137           138           139           140 
      1  -0.151944D+01 -0.374104D-03 -0.326736D+01 -0.365900D+00 -0.140042D+01
      2  -0.279685D+01  0.322461D+00 -0.983387D+00  0.203486D+01 -0.730492D+00
      3   0.761088D+00 -0.465046D+00  0.336110D+00 -0.451823D+00 -0.137818D-01
               141           142           143           144           145 
      1   0.339613D+01 -0.331244D+00  0.366516D+01 -0.142375D+02  0.258110D+01
      2   0.297524D+01 -0.636434D+01 -0.115204D+01 -0.113959D+02  0.193509D+01
      3   0.391889D+00  0.247240D+01  0.115716D+01  0.148808D+01 -0.129943D+01
               146           147           148           149           150 
      1  -0.386712D+01  0.296261D+00 -0.269695D+01  0.114460D+02 -0.227273D+01
      2  -0.954939D+00  0.109412D+01 -0.278924D+01  0.181822D+01 -0.152629D+01
      3  -0.348381D+01 -0.873186D+00  0.464793D+01  0.478295D+01  0.590970D+00
               151           152           153           154           155 
      1   0.433509D+00 -0.144807D+01 -0.385583D+00 -0.100098D+01  0.290064D+01
      2  -0.215629D+00 -0.132143D+01 -0.993285D+00  0.674870D+00 -0.143987D+01
      3  -0.144345D+01 -0.154973D+00  0.710955D+00 -0.568141D+01  0.829229D+01
               156           157           158           159           160 
      1   0.179145D+01  0.516653D+00 -0.460105D+01 -0.523715D+01 -0.480105D+00
      2  -0.115343D+00 -0.680415D+00  0.189376D+01  0.202190D+01 -0.206186D+00
      3   0.322735D+01  0.604363D+01 -0.213026D+02 -0.358701D+01  0.398542D+01
               161           162           163           164           165 
      1  -0.260012D+01 -0.264261D+01  0.357618D+01  0.144725D+01 -0.474691D+01
      2   0.303481D+01  0.141302D+01 -0.278362D+01 -0.358044D+01  0.739736D+01
      3  -0.785731D+01 -0.383527D+01  0.156770D+01 -0.228011D+01  0.119334D+01
               166           167           168           169           170 
      1   0.131290D+01  0.837086D+00 -0.260971D+01 -0.457729D+01 -0.105825D+01
      2  -0.172353D+01 -0.290525D+01  0.270018D+01  0.335112D+01  0.468068D+01
      3  -0.368197D+00 -0.532974D+01  0.214147D+01 -0.222132D+00  0.414063D+01
               171           172           173           174           175 
      1   0.815111D+01 -0.107736D+01  0.433547D-02 -0.407502D+00  0.184223D+00
      2  -0.106268D+02  0.245837D+01 -0.336545D+00 -0.149869D+01  0.366598D+00
      3  -0.154240D+01  0.147638D+01 -0.174689D+00  0.124097D+01 -0.348618D+00
               176           177           178           179           180 
      1   0.801940D+00 -0.774594D+00 -0.103269D-01  0.426813D+01 -0.141514D+01
      2   0.171066D+01  0.351692D+01  0.289729D+01  0.201379D+01  0.274524D+02
      3  -0.157644D+01 -0.135371D+01 -0.787311D+00 -0.387876D+01 -0.217275D+01
               181           182           183           184           185 
      1  -0.353546D+01  0.184593D+01  0.673172D+00  0.231570D+01 -0.124483D+01
      2  -0.704682D+01  0.143450D+01  0.579817D+01  0.303496D+01 -0.218974D+01
      3   0.861528D+01 -0.890658D+01  0.806541D+00 -0.340032D+01  0.434826D+01
               186           187           188           189 
      1  -0.108707D+01  0.486281D+00  0.383461D+00 -0.753308D+00
      2  -0.259225D+01  0.489223D+01 -0.128614D+01  0.418597D+00
      3   0.542599D+00 -0.925348D+00  0.272392D+01  0.703172D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.835049D+01  0.155211D+02 -0.566144D+01  0.670034D+01 -0.224356D+01
      2  -0.190324D+01 -0.192178D+02  0.132954D+02 -0.112490D+02 -0.164191D+02
      3   0.102537D+02  0.369661D+01 -0.763396D+01  0.454867D+01  0.186627D+02
      4   0.673585D+01 -0.568337D+01 -0.400195D+01 -0.903059D+01 -0.179627D+02
      5  -0.160066D+02 -0.250229D+01  0.137676D+02  0.170463D+01  0.302093D+01
      6  -0.168189D+02  0.864638D+01  0.263869D+01  0.100320D+02  0.551513D+00
                 6             7             8             9            10 
      1   0.972634D+01  0.682594D+00  0.628180D+01  0.113464D+02  0.180583D+01
      2   0.801198D+00  0.451308D+01 -0.311968D+01  0.131586D+02 -0.328763D+01
      3  -0.105275D+02 -0.519568D+01 -0.316212D+01 -0.245051D+02  0.148180D+01
      4   0.100803D+01 -0.705225D+01 -0.379253D+01  0.817036D+01  0.509203D+01
      5   0.387896D+01  0.109451D+02  0.581843D+01 -0.274914D+01 -0.146554D+02
      6   0.711333D+01  0.528090D+01  0.762134D+01 -0.394545D+01  0.261390D+01
                11            12            13            14            15 
      1  -0.362231D+00 -0.545063D+01 -0.643328D+00 -0.151500D+01 -0.573520D+01
      2   0.388187D+01  0.239575D+01  0.417096D+01 -0.502961D+00  0.194662D+01
      3  -0.351964D+01  0.305488D+01 -0.352763D+01  0.201796D+01  0.378859D+01
      4  -0.153220D+01  0.460532D+01 -0.703953D+01  0.928979D+01  0.291097D+01
      5   0.642853D+01 -0.809344D+00 -0.128362D+01  0.910536D+00 -0.261395D+01
      6  -0.308217D+01  0.235297D+01 -0.484872D+01  0.243999D+01 -0.509682D-01
                16            17            18            19            20 
      1  -0.116759D+02 -0.351011D+01 -0.415330D+00 -0.764429D+01 -0.171750D-02
      2   0.573935D+01  0.255386D+01 -0.320616D+01  0.925934D+01 -0.968495D-03
      3   0.593651D+01  0.956251D+00  0.362149D+01 -0.161505D+01  0.268599D-02
      4   0.173196D+01  0.635954D+01 -0.236160D+01 -0.467952D-02 -0.135718D+01
      5  -0.257698D-01 -0.163904D+01  0.771816D-01  0.181072D+02  0.155479D-02
      6   0.571473D+01 -0.749343D+00  0.141086D+01  0.358049D-02  0.428054D+01
                21            22            23            24            25 
      1   0.154612D+01 -0.163243D-02 -0.190864D+01  0.270720D-02 -0.405844D+01
      2  -0.441897D+01 -0.219104D-02  0.471736D+01 -0.181084D-02  0.392539D+00
      3   0.287286D+01  0.382347D-02 -0.280872D+01 -0.896362D-03  0.366590D+01
      4   0.243562D-02 -0.296231D+01  0.211142D-02  0.177347D+00  0.600927D-02
      5  -0.109180D+02  0.714047D-02  0.517721D+00  0.831913D-03 -0.180821D+02
      6  -0.158843D-03  0.835853D+01  0.255338D-03 -0.205915D+01  0.111541D-02
                26            27            28            29            30 
      1  -0.148691D-03 -0.451504D+01 -0.124667D+02 -0.203213D+02  0.167783D+02
      2   0.105739D-02  0.237032D+01  0.172330D+01  0.913373D+01 -0.934859D+01
      3  -0.908699D-03  0.214472D+01  0.107434D+02  0.111876D+02 -0.742966D+01
      4   0.109626D+01 -0.658086D-03 -0.271286D+02 -0.208585D+01 -0.418319D+01
      5  -0.865623D-03  0.507189D+01  0.229316D+02 -0.486171D+01  0.142056D+02
      6  -0.134674D+01 -0.149242D-02 -0.624505D+01  0.547867D+00 -0.370873D+01
                31            32            33            34            35 
      1  -0.316931D+02  0.649091D+01 -0.117672D+01  0.289533D+02  0.325956D+01
      2   0.147823D+02 -0.651743D+01 -0.282924D+01 -0.124765D+02 -0.547823D+01
      3   0.169108D+02  0.265157D-01  0.400596D+01 -0.164768D+02  0.221867D+01
      4   0.801016D+01  0.129705D+02  0.160589D+02  0.283707D+01  0.114992D+02
      5  -0.636990D+01  0.181614D+02  0.109314D+02  0.852930D+01  0.758405D+01
      6  -0.451013D+00  0.301622D+01  0.160023D+01 -0.242019D+01  0.172623D+01
                36            37            38            39            40 
      1   0.181036D+02 -0.267441D+00 -0.557684D+01 -0.614902D+01 -0.426129D+01
      2   0.295903D+01  0.802064D+01 -0.885817D+01  0.437801D+01 -0.781547D+01
      3  -0.210627D+02 -0.775320D+01  0.144350D+02  0.177101D+01  0.120768D+02
      4   0.619779D+01 -0.110049D+02  0.143172D+02 -0.137898D+02  0.161303D+02
      5  -0.153970D+02  0.777048D+01 -0.159419D+02 -0.173891D+02 -0.759017D+01
      6   0.384638D+01 -0.246344D+00  0.895374D+01  0.101025D+02  0.593338D+01
                41            42            43            44            45 
      1   0.122426D+02 -0.110038D+02  0.578311D+00 -0.217183D+02 -0.128006D+02
      2  -0.504732D+01  0.128574D+02  0.163194D+01  0.177897D+02  0.913499D+01
      3  -0.719531D+01 -0.185356D+01 -0.221025D+01  0.392860D+01  0.366565D+01
      4  -0.199804D+02 -0.360334D+01 -0.192681D+02 -0.200371D+01  0.592605D+01
      5  -0.714560D+01  0.305750D+00 -0.154543D+02  0.291985D+01  0.810490D+01
      6   0.568323D+01 -0.205537D+01  0.122902D+02 -0.468288D+01 -0.339899D+01
                46            47            48            49            50 
      1  -0.835207D+01 -0.155161D+02 -0.565540D+01 -0.670314D+01 -0.223856D+01
      2  -0.191078D+01  0.192108D+02  0.133037D+02  0.112438D+02 -0.164163D+02
      3   0.102628D+02 -0.369466D+01 -0.764825D+01 -0.454071D+01  0.186548D+02
      4  -0.672222D+01 -0.568567D+01  0.399554D+01 -0.903241D+01  0.179614D+02
      5  -0.160036D+02  0.249552D+01  0.137693D+02 -0.171554D+01  0.302951D+01
      6   0.168108D+02  0.865037D+01 -0.263618D+01  0.100380D+02 -0.565759D+00
                51            52            53            54            55 
      1  -0.972671D+01  0.691924D+00 -0.628116D+01  0.113436D+02  0.178756D+01
      2  -0.808361D+00  0.452087D+01  0.310724D+01  0.131505D+02 -0.327867D+01
      3   0.105351D+02 -0.521279D+01  0.317392D+01 -0.244941D+02  0.149111D+01
      4   0.101751D+01  0.704554D+01 -0.378306D+01 -0.817186D+01 -0.509559D+01
      5  -0.387369D+01  0.109479D+02 -0.581753D+01 -0.276484D+01 -0.146595D+02
      6   0.710634D+01 -0.528164D+01  0.761579D+01  0.395842D+01 -0.261424D+01
                56            57            58            59            60 
      1   0.359945D+00 -0.545084D+01  0.645206D+00 -0.151960D+01  0.573296D+01
      2  -0.387900D+01  0.239783D+01 -0.416971D+01 -0.500156D+00 -0.194642D+01
      3   0.351905D+01  0.305301D+01  0.352451D+01  0.201975D+01 -0.378654D+01
      4  -0.152955D+01 -0.460520D+01 -0.704183D+01 -0.929656D+01  0.290680D+01
      5  -0.642660D+01 -0.811017D+00  0.128677D+01  0.908378D+00  0.261382D+01
      6  -0.308253D+01 -0.235278D+01 -0.484591D+01 -0.243638D+01 -0.491380D-01
                61            62            63            64            65 
      1  -0.116806D+02  0.351140D+01 -0.407755D+00 -0.259975D+00  0.560187D+01
      2   0.574227D+01 -0.255564D+01 -0.321012D+01  0.802204D+01  0.883227D+01
      3   0.593834D+01 -0.955765D+00  0.361788D+01 -0.776207D+01 -0.144341D+02
      4  -0.173219D+01  0.635574D+01  0.236843D+01  0.110204D+02  0.143117D+02
      5  -0.155667D-01  0.164566D+01  0.827907D-01  0.776013D+01  0.159476D+02
      6  -0.571289D+01 -0.747473D+00 -0.141207D+01  0.243984D+00  0.896230D+01
                66            67            68            69            70 
      1  -0.615615D+01  0.427765D+01  0.122307D+02  0.110133D+02  0.570769D+00
      2   0.439212D+01  0.779704D+01 -0.503491D+01 -0.128665D+02  0.164313D+01
      3   0.176403D+01 -0.120747D+02 -0.719583D+01  0.185321D+01 -0.221389D+01
      4   0.137952D+02  0.161230D+02  0.199773D+02 -0.360168D+01  0.192691D+02
      5  -0.173741D+02  0.759496D+01 -0.714523D+01 -0.316618D+00 -0.154427D+02
      6  -0.100961D+02  0.594047D+01 -0.568997D+01 -0.206896D+01 -0.122864D+02
                71            72            73            74            75 
      1   0.217245D+02 -0.127755D+02 -0.124280D+02  0.203199D+02  0.168041D+02
      2  -0.177984D+02  0.911591D+01  0.170229D+01 -0.913116D+01 -0.935619D+01
      3  -0.392609D+01  0.365960D+01  0.107257D+02 -0.111887D+02 -0.744793D+01
      4  -0.200412D+01 -0.594028D+01  0.271243D+02 -0.209118D+01  0.416843D+01
      5  -0.293711D+01  0.811828D+01  0.229605D+02  0.484558D+01  0.141904D+02
      6  -0.469937D+01  0.340791D+01  0.623754D+01  0.546513D+00  0.370288D+01
                76            77            78            79            80 
      1   0.316879D+02  0.649258D+01  0.116078D+01  0.289817D+02 -0.327655D+01
      2  -0.147767D+02 -0.651682D+01  0.283149D+01 -0.124828D+02  0.547963D+01
      3  -0.169112D+02  0.242359D-01 -0.399227D+01 -0.164989D+02 -0.220308D+01
      4   0.800838D+01 -0.129874D+02  0.160592D+02 -0.285097D+01  0.115007D+02
      5   0.635039D+01  0.181616D+02 -0.109190D+02  0.850005D+01 -0.757268D+01
      6  -0.451722D+00 -0.302021D+01  0.160255D+01  0.241608D+01  0.172782D+01
                81            82            83            84            85 
      1   0.180769D+02  0.347478D+01 -0.356465D+01  0.193608D+01 -0.288750D+01
      2   0.297880D+01  0.472814D+01  0.112227D+02 -0.308843D+01  0.114133D+02
      3  -0.210557D+02 -0.820292D+01 -0.765807D+01  0.115235D+01 -0.852582D+01
      4  -0.618624D+01  0.107648D+02  0.187697D+02 -0.354837D+01  0.168178D+02
      5  -0.154305D+02 -0.237529D+01 -0.503982D+01  0.368237D+01 -0.570117D+01
      6  -0.383833D+01 -0.255159D+01 -0.768700D+01  0.360121D+01 -0.847400D+01
                86            87            88            89            90 
      1  -0.244099D+02  0.717397D+01  0.290419D+01  0.830225D+00 -0.588333D+01
      2   0.469912D+02 -0.730087D+01 -0.905328D+00  0.387665D+01  0.217769D+01
      3  -0.225813D+02  0.126903D+00 -0.199886D+01 -0.470688D+01  0.370564D+01
      4   0.324834D+02 -0.787012D+01  0.184651D+01  0.109220D+01  0.358918D+01
      5  -0.890742D+01  0.518528D+01  0.146715D+01  0.327379D+01 -0.226599D+01
      6  -0.222259D+02  0.116918D+02  0.188343D+01  0.708607D+01 -0.398281D+01
                91            92            93            94            95 
      1  -0.379490D+00 -0.131674D+00 -0.523810D+01 -0.286713D+01 -0.402055D+01
      2  -0.251911D+01  0.120208D+01 -0.354928D+01  0.229744D+01  0.166175D+01
      3   0.289860D+01 -0.107041D+01  0.878738D+01  0.569687D+00  0.235879D+01
      4  -0.972043D+00  0.206152D+01 -0.141022D+01  0.269073D+01  0.198039D+01
      5   0.195522D+01 -0.335903D+00  0.513773D+01  0.177293D+01 -0.196192D+01
      6   0.547417D+00  0.157457D+00 -0.363050D+01 -0.158519D+01 -0.928539D+00
                96            97            98            99           100 
      1  -0.429364D+01 -0.246077D+01  0.583452D+01 -0.334844D+02  0.677913D+01
      2  -0.659648D+01 -0.625114D-01 -0.225039D+01 -0.223192D+02 -0.584320D+01
      3   0.108901D+02  0.252328D+01 -0.358413D+01  0.558036D+02 -0.935929D+00
      4  -0.196311D+01 -0.158463D+01 -0.307862D+01  0.835459D+00  0.291899D+01
      5  -0.247940D+01  0.539431D+01  0.143038D+01 -0.109428D+02  0.413996D+01
      6   0.542308D+01 -0.391334D+00  0.872058D+01 -0.169588D+02 -0.221518D+00
               101           102           103           104           105 
      1   0.216106D+01  0.669702D+01  0.429263D+01 -0.258464D+01  0.304207D+01
      2  -0.113433D+01 -0.217891D+01 -0.222386D+01  0.167582D+00  0.501537D+00
      3  -0.102674D+01 -0.451811D+01 -0.206877D+01  0.241705D+01 -0.354360D+01
      4   0.687406D+00  0.460987D+00  0.332468D+01 -0.292166D+01  0.281847D+01
      5   0.126519D+01  0.374289D+01  0.770069D+00  0.269983D+01 -0.479211D+01
      6  -0.813877D+00  0.414161D+00  0.182790D+01 -0.225367D+01  0.698231D+01
               106           107           108           109           110 
      1   0.643501D+01  0.176672D+01 -0.124016D+02  0.821451D+02  0.204052D+02
      2  -0.114112D+02  0.621939D+00 -0.229564D+02 -0.402188D+02 -0.955553D+01
      3   0.497621D+01 -0.238866D+01  0.353580D+02 -0.419263D+02 -0.108496D+02
      4  -0.115824D+01  0.616916D+01 -0.298655D+01  0.242953D+02  0.155070D+02
      5   0.201563D+02 -0.369416D+01  0.488025D+02  0.693062D+01  0.265196D+01
      6  -0.202076D+01  0.578132D+01 -0.732140D+01  0.303663D+01  0.161266D+01
               111           112           113           114           115 
      1   0.221489D+01  0.332327D+02  0.121663D+02  0.131090D+01 -0.150606D+02
      2  -0.252565D+01 -0.146022D+02 -0.281822D+01 -0.163488D+01  0.607170D+01
      3   0.310759D+00 -0.186305D+02 -0.934805D+01  0.323985D+00  0.898888D+01
      4   0.176909D+01  0.186160D+02  0.116297D+02 -0.743244D+00 -0.346359D+01
      5   0.997792D+01  0.426982D+01 -0.871306D+00  0.438932D+01  0.118437D+02
      6   0.719071D+00  0.185320D+01  0.903949D+00  0.172090D+01  0.445039D+00
               116           117           118           119           120 
      1  -0.268075D+01  0.656719D+01 -0.340911D+01 -0.990649D+01  0.238814D+01
      2   0.994091D+00 -0.570370D+01  0.391325D+01  0.143906D+02 -0.269896D+01
      3   0.168666D+01 -0.863492D+00 -0.504134D+00 -0.448407D+01  0.310818D+00
      4  -0.512621D+01  0.239452D+01  0.252716D+01 -0.290344D+01  0.195825D+01
      5   0.243433D+01  0.200555D+01 -0.474644D+00  0.320820D+01  0.412245D+00
      6   0.168707D+01 -0.819388D+00 -0.161799D+01 -0.304195D+01  0.172644D+01
               121           122           123           124           125 
      1  -0.588209D+01 -0.264523D+02  0.504162D+01  0.348088D+01  0.111270D+02
      2   0.492946D+01  0.412114D+02 -0.690097D+01 -0.273004D+01 -0.130031D+02
      3   0.952635D+00 -0.147591D+02  0.185935D+01 -0.750836D+00  0.187612D+01
      4   0.413904D+01 -0.206230D+02  0.164725D+01  0.117166D+01  0.508088D+01
      5   0.205896D+01  0.303708D+01 -0.536177D+01  0.376109D+01 -0.511054D+01
      6  -0.152252D+01 -0.660012D+01  0.734381D+01 -0.876946D+00  0.957639D+01
               126           127           128           129           130 
      1  -0.436570D+01  0.174836D+02 -0.490733D+01 -0.727510D+01 -0.252494D+00
      2   0.447455D+01 -0.107370D+02  0.197513D+01  0.502110D+01 -0.153632D+01
      3  -0.108846D+00 -0.674666D+01  0.293220D+01  0.225400D+01  0.178881D+01
      4  -0.414501D+01 -0.149038D+02  0.116720D+02  0.124875D+02  0.100710D+02
      5   0.203802D+01 -0.185105D+02  0.114136D+02  0.201532D+02  0.641658D+01
      6  -0.466994D+01  0.890049D+01 -0.743422D+01 -0.953775D+01 -0.618531D+01
               131           132           133           134           135 
      1  -0.214200D+01  0.736722D+00 -0.123169D+02  0.292005D+01  0.397436D+01
      2   0.575886D+01  0.159383D+01  0.892396D+01 -0.524415D+00 -0.105151D+02
      3  -0.361686D+01 -0.233056D+01  0.339298D+01 -0.239563D+01  0.654070D+01
      4  -0.137088D+02 -0.959238D+01  0.185884D+02 -0.167487D+02 -0.174650D+02
      5  -0.920389D+01 -0.691534D+01  0.246682D+02 -0.162824D+02 -0.314477D+02
      6   0.741758D+01  0.868214D+01 -0.135370D+02  0.140389D+02  0.187487D+02
               136           137           138           139           140 
      1  -0.380665D+00  0.131010D+00 -0.524329D+01  0.286857D+01 -0.402102D+01
      2  -0.251918D+01 -0.120051D+01 -0.355511D+01 -0.229572D+01  0.166004D+01
      3   0.289985D+01  0.106950D+01  0.879841D+01 -0.572853D+00  0.236098D+01
      4   0.972416D+00  0.206007D+01  0.140936D+01  0.269068D+01 -0.197876D+01
      5   0.195911D+01  0.335303D+00  0.513680D+01 -0.177282D+01 -0.196140D+01
      6  -0.547770D+00  0.158322D+00  0.363164D+01 -0.158498D+01  0.925788D+00
               141           142           143           144           145 
      1   0.429848D+01 -0.246539D+01 -0.582808D+01 -0.334830D+02  0.347519D+01
      2   0.659736D+01 -0.673386D-01  0.225208D+01 -0.223186D+02  0.472690D+01
      3  -0.108958D+02  0.253273D+01  0.357601D+01  0.558015D+02 -0.820209D+01
      4  -0.196311D+01  0.158322D+01 -0.307672D+01 -0.831919D+00 -0.107658D+02
      5   0.247852D+01  0.539136D+01 -0.142785D+01 -0.109298D+02 -0.237894D+01
      6   0.542410D+01  0.394506D+00  0.871646D+01  0.169413D+02  0.255546D+01
               146           147           148           149           150 
      1   0.356532D+01  0.193635D+01  0.288701D+01 -0.244059D+02 -0.717839D+01
      2  -0.112195D+02 -0.308948D+01 -0.114081D+02  0.469729D+02  0.730571D+01
      3   0.765420D+01  0.115313D+01  0.852104D+01 -0.225670D+02 -0.127321D+00
      4   0.187678D+02  0.355252D+01  0.168142D+02 -0.324731D+02 -0.787488D+01
      5   0.504368D+01  0.368424D+01  0.570432D+01 -0.891234D+01 -0.518829D+01
      6  -0.769082D+01 -0.360406D+01 -0.847828D+01  0.222359D+02  0.116973D+02
               151           152           153           154           155 
      1   0.290309D+01 -0.835629D+00 -0.588538D+01 -0.340413D+01  0.989543D+01
      2  -0.907251D+00 -0.386706D+01  0.217718D+01  0.390692D+01 -0.143746D+02
      3  -0.199584D+01  0.470268D+01  0.370819D+01 -0.502798D+00  0.447919D+01
      4  -0.184266D+01  0.108432D+01 -0.358972D+01 -0.252586D+01 -0.289889D+01
      5   0.146737D+01 -0.327483D+01 -0.226792D+01 -0.474378D+00 -0.320873D+01
      6  -0.188455D+01  0.708865D+01  0.398692D+01  0.162051D+01 -0.304840D+01
               156           157           158           159           160 
      1   0.239311D+01  0.587501D+01 -0.264433D+02 -0.505236D+01  0.348457D+01
      2  -0.270335D+01 -0.491940D+01  0.411994D+02  0.691446D+01 -0.273148D+01
      3   0.310232D+00 -0.955611D+00 -0.147561D+02 -0.186209D+01 -0.753095D+00
      4  -0.195855D+01  0.414371D+01  0.206313D+02  0.165651D+01 -0.116779D+01
      5   0.411447D+00 -0.205749D+01  0.304623D+01  0.536556D+01  0.376039D+01
      6  -0.172739D+01 -0.152306D+01  0.662099D+01  0.735038D+01  0.876720D+00
               161           162           163           164           165 
      1  -0.111387D+02 -0.437415D+01  0.174647D+02  0.490196D+01 -0.726692D+01
      2   0.130176D+02  0.448121D+01 -0.107238D+02 -0.196957D+01  0.501078D+01
      3  -0.187890D+01 -0.107060D+00 -0.674095D+01 -0.293239D+01  0.225614D+01
      4   0.509464D+01  0.415158D+01  0.148949D+02  0.116719D+02 -0.124854D+02
      5   0.511786D+01  0.204565D+01 -0.184944D+02 -0.114123D+02  0.201401D+02
      6   0.958673D+01  0.468125D+01 -0.889643D+01 -0.743381D+01  0.953357D+01
               166           167           168           169           170 
      1   0.252542D+00 -0.214522D+01 -0.736259D+00 -0.123096D+02 -0.291589D+01
      2   0.153843D+01  0.576509D+01 -0.159470D+01  0.891354D+01  0.519749D+00
      3  -0.179097D+01 -0.361988D+01  0.233096D+01  0.339608D+01  0.239614D+01
      4   0.100746D+02  0.137190D+02 -0.959495D+01 -0.185886D+02 -0.167550D+02
      5  -0.641888D+01 -0.920616D+01  0.692072D+01  0.246576D+02  0.162884D+02
      6  -0.618729D+01 -0.742248D+01  0.868722D+01  0.135365D+02  0.140469D+02
               171           172           173           174           175 
      1   0.396256D+01  0.678645D+01 -0.216528D+01  0.669367D+01 -0.429592D+01
      2  -0.105032D+02 -0.584914D+01  0.113612D+01 -0.218490D+01  0.222611D+01
      3   0.654068D+01 -0.937309D+00  0.102916D+01 -0.450877D+01  0.206980D+01
      4   0.174696D+02 -0.292069D+01  0.690878D+00 -0.460842D+00  0.332705D+01
      5  -0.314454D+02  0.414630D+01 -0.126449D+01  0.375694D+01 -0.772281D+00
      6  -0.187560D+02  0.220516D+00 -0.811859D+00 -0.411096D+00  0.182928D+01
               176           177           178           179           180 
      1  -0.258044D+01 -0.303500D+01  0.643792D+01 -0.176010D+01 -0.123822D+02
      2   0.164999D+00 -0.499961D+00 -0.114216D+02 -0.619001D+00 -0.229688D+02
      3   0.241544D+01  0.353496D+01  0.498367D+01  0.237910D+01  0.353509D+02
      4   0.291839D+01  0.281907D+01  0.115468D+01  0.617013D+01  0.297440D+01
      5   0.270060D+01  0.477957D+01  0.201775D+02  0.368207D+01  0.488237D+02
      6   0.224805D+01  0.697873D+01  0.201760D+01  0.577832D+01  0.730317D+01
               181           182           183           184           185 
      1   0.821332D+02 -0.204096D+02  0.219038D+01 -0.332316D+02  0.121677D+02
      2  -0.402089D+02  0.955607D+01 -0.251242D+01  0.145992D+02 -0.281773D+01
      3  -0.419243D+02  0.108535D+02  0.322043D+00  0.186324D+02 -0.934996D+01
      4  -0.243024D+02  0.155099D+02 -0.176093D+01  0.186201D+02 -0.116313D+02
      5   0.689554D+01 -0.264293D+01  0.997440D+01 -0.425470D+01 -0.878464D+00
      6  -0.303101D+01  0.161049D+01 -0.718388D+00  0.184869D+01 -0.900380D+00
               186           187           188           189 
      1  -0.130180D+01 -0.150917D+02  0.268964D+01  0.657159D+01
      2   0.163077D+01  0.608809D+01 -0.997815D+00 -0.570526D+01
      3  -0.328961D+00  0.900358D+01 -0.169183D+01 -0.866331D+00
      4  -0.749758D+00  0.347481D+01 -0.513413D+01 -0.239850D+01
      5  -0.438963D+01  0.118480D+02 -0.243811D+01  0.199410D+01
      6   0.172079D+01 -0.445431D+00  0.168700D+01  0.819868D+00
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Thu Jul 22 18:54:08 2021, MaxMem=  5637144576 cpu:           22920.4 elap:            2872.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -10.18608 -10.18518 -10.18510 -10.17320 -10.17320
 Alpha  occ. eigenvalues --  -10.17261 -10.17261 -10.17239 -10.17238  -0.90401
 Alpha  occ. eigenvalues --   -0.86445  -0.81125  -0.76335  -0.60599  -0.60425
 Alpha  occ. eigenvalues --   -0.58082  -0.56249  -0.52058  -0.50339  -0.47696
 Alpha  occ. eigenvalues --   -0.47423  -0.44980  -0.44547  -0.38060  -0.36846
 Alpha  occ. eigenvalues --   -0.36790  -0.34625  -0.32567  -0.30655  -0.30370
 Alpha  occ. eigenvalues --   -0.26838  -0.26394  -0.26163
 Alpha virt. eigenvalues --    0.00646   0.01954   0.02294   0.02611   0.03577
 Alpha virt. eigenvalues --    0.04324   0.04414   0.05477   0.05832   0.07106
 Alpha virt. eigenvalues --    0.08039   0.08206   0.09058   0.09343   0.10383
 Alpha virt. eigenvalues --    0.11570   0.11889   0.13125   0.13133   0.13911
 Alpha virt. eigenvalues --    0.14680   0.15271   0.15440   0.16007   0.16222
 Alpha virt. eigenvalues --    0.17516   0.17619   0.17863   0.18468   0.18961
 Alpha virt. eigenvalues --    0.19389   0.21004   0.21230   0.21749   0.21927
 Alpha virt. eigenvalues --    0.22448   0.23205   0.23292   0.24090   0.24448
 Alpha virt. eigenvalues --    0.24997   0.25176   0.25259   0.25623   0.26160
 Alpha virt. eigenvalues --    0.26639   0.27479   0.28639   0.28704   0.29022
 Alpha virt. eigenvalues --    0.29920   0.30741   0.30891   0.31178   0.31631
 Alpha virt. eigenvalues --    0.31856   0.32829   0.33009   0.33163   0.33790
 Alpha virt. eigenvalues --    0.34005   0.34294   0.34639   0.34731   0.35087
 Alpha virt. eigenvalues --    0.35416   0.35768   0.36245   0.36773   0.37317
 Alpha virt. eigenvalues --    0.37906   0.37943   0.38235   0.38741   0.39510
 Alpha virt. eigenvalues --    0.39728   0.39893   0.40422   0.40805   0.41258
 Alpha virt. eigenvalues --    0.41500   0.42312   0.42321   0.43529   0.43545
 Alpha virt. eigenvalues --    0.44336   0.44669   0.45359   0.45877   0.46083
 Alpha virt. eigenvalues --    0.46710   0.47584   0.47955   0.47977   0.50025
 Alpha virt. eigenvalues --    0.50823   0.50883   0.51274   0.51701   0.53345
 Alpha virt. eigenvalues --    0.54335   0.54347   0.55761   0.57682   0.57812
 Alpha virt. eigenvalues --    0.58142   0.58858   0.59341   0.59973   0.60672
 Alpha virt. eigenvalues --    0.61113   0.61483   0.61643   0.63749   0.63944
 Alpha virt. eigenvalues --    0.64454   0.64730   0.65832   0.66636   0.66711
 Alpha virt. eigenvalues --    0.67212   0.67225   0.67378   0.67894   0.67985
 Alpha virt. eigenvalues --    0.68378   0.68551   0.68996   0.69766   0.70018
 Alpha virt. eigenvalues --    0.70575   0.70889   0.72384   0.73020   0.73134
 Alpha virt. eigenvalues --    0.74239   0.74714   0.75242   0.75786   0.76157
 Alpha virt. eigenvalues --    0.77343   0.77374   0.78189   0.79401   0.80499
 Alpha virt. eigenvalues --    0.80710   0.83303   0.85299   0.85647   0.86014
 Alpha virt. eigenvalues --    0.86289   0.88442   0.89545   0.90490   0.90503
 Alpha virt. eigenvalues --    0.93233   0.94369   0.96102   0.97628   1.00835
 Alpha virt. eigenvalues --    1.01072   1.05770   1.05867   1.06848   1.08660
 Alpha virt. eigenvalues --    1.10121   1.11477   1.12340   1.12508   1.15652
 Alpha virt. eigenvalues --    1.16274   1.18596   1.19712   1.24056   1.24112
 Alpha virt. eigenvalues --    1.24285   1.24431   1.27724   1.29164   1.30691
 Alpha virt. eigenvalues --    1.31665   1.31866   1.33076   1.35151   1.35282
 Alpha virt. eigenvalues --    1.36188   1.37746   1.38638   1.38643   1.39668
 Alpha virt. eigenvalues --    1.40431   1.41181   1.43002   1.43895   1.45325
 Alpha virt. eigenvalues --    1.46134   1.49542   1.50569   1.53096   1.53209
 Alpha virt. eigenvalues --    1.54620   1.58316   1.65399   1.75760   1.77638
 Alpha virt. eigenvalues --    1.79519   1.81406   1.81523   1.82961   1.83156
 Alpha virt. eigenvalues --    1.83975   1.84054   1.84159   1.86281   1.87021
 Alpha virt. eigenvalues --    1.87382   1.87901   1.88828   1.89708   1.91032
 Alpha virt. eigenvalues --    1.91277   1.92977   1.93046   1.94654   1.95154
 Alpha virt. eigenvalues --    1.96165   1.96727   1.97512   1.97865   1.99869
 Alpha virt. eigenvalues --    2.00724   2.04472   2.05126   2.08085   2.15216
 Alpha virt. eigenvalues --    2.15498   2.17741   2.18971   2.19199   2.24032
 Alpha virt. eigenvalues --    2.25038   2.25864   2.28821   2.29132   2.30958
 Alpha virt. eigenvalues --    2.35035   2.36138   2.39305   2.40075   2.42492
 Alpha virt. eigenvalues --    2.43263   2.44373   2.47869   2.50768   2.50850
 Alpha virt. eigenvalues --    2.52569   2.52980   2.54220   2.55383   2.57432
 Alpha virt. eigenvalues --    2.57434   2.57842   2.58190   2.60450   2.61369
 Alpha virt. eigenvalues --    2.62293   2.64688   2.65390   2.65655   2.67171
 Alpha virt. eigenvalues --    2.68608   2.70079   2.70910   2.75338   2.75831
 Alpha virt. eigenvalues --    2.77037   2.78143   2.78603   2.79314   2.80868
 Alpha virt. eigenvalues --    2.82287   2.85751   2.87304   2.88741   2.89166
 Alpha virt. eigenvalues --    2.93366   2.93407   2.95959   2.97245   2.97606
 Alpha virt. eigenvalues --    2.98456   3.02573   3.03243   3.04706   3.05680
 Alpha virt. eigenvalues --    3.08659   3.10847   3.11025   3.12209   3.16508
 Alpha virt. eigenvalues --    3.17525   3.18707   3.19273   3.23459   3.25944
 Alpha virt. eigenvalues --    3.27193   3.27205   3.29196   3.29451   3.33131
 Alpha virt. eigenvalues --    3.33691   3.33799   3.34329   3.35378   3.38070
 Alpha virt. eigenvalues --    3.38400   3.40031   3.43551   3.44113   3.45097
 Alpha virt. eigenvalues --    3.46532   3.47516   3.48941   3.49707   3.49792
 Alpha virt. eigenvalues --    3.51438   3.54949   3.55964   3.57732   3.59726
 Alpha virt. eigenvalues --    3.64422   3.66062   3.66362   3.68553   3.68927
 Alpha virt. eigenvalues --    3.69679   3.71198   3.74029   3.75689   3.77346
 Alpha virt. eigenvalues --    3.83191   3.83366   3.84163   3.88158   3.88759
 Alpha virt. eigenvalues --    3.91607   3.92604   3.96499   3.99814   4.03355
 Alpha virt. eigenvalues --    4.03738   4.11141   4.11549   4.16380   4.16785
 Alpha virt. eigenvalues --    4.20524   4.22793   4.24038   4.25979   4.28656
 Alpha virt. eigenvalues --    4.31042   4.33220   4.34515   4.34840   4.39713
 Alpha virt. eigenvalues --    4.40989   4.43007   4.45182   4.46115   4.46305
 Alpha virt. eigenvalues --    4.50241   4.55398   4.56351   4.58958   4.62486
 Alpha virt. eigenvalues --    4.67644   4.68398   4.71045   4.72241   4.74585
 Alpha virt. eigenvalues --    4.77438   4.79676   4.79880   4.88536   4.99886
 Alpha virt. eigenvalues --    5.04094   5.04571   5.12357   5.13024   5.15503
 Alpha virt. eigenvalues --    5.20869   5.23382   5.31418   5.39062   5.51678
 Alpha virt. eigenvalues --    5.58489   5.89366  22.57632  22.63489  22.67775
 Alpha virt. eigenvalues --   22.68972  22.74925  22.76341  23.31737  23.35961
 Alpha virt. eigenvalues --   23.60957
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    6.271463   0.608193  -0.181560  -0.133213  -0.232843  -0.219068
     2  C    0.608193   6.148222  -0.858383  -0.011225  -0.147360  -0.150494
     3  C   -0.181560  -0.858383   7.855795  -0.204420  -0.076131  -0.181807
     4  C   -0.133213  -0.011225  -0.204420   6.000370   0.270377   0.057499
     5  C   -0.232843  -0.147360  -0.076131   0.270377   5.927951   0.017460
     6  C   -0.219068  -0.150494  -0.181807   0.057499   0.017460   6.271732
     7  C   -0.150572  -0.089701  -0.858762   0.003293   0.038554   0.608068
     8  C    0.017464   0.038527  -0.076298  -0.004089   0.009022  -0.232761
     9  C    0.057523   0.003239  -0.204559   0.002681  -0.004090  -0.133157
    10  H    0.363915  -0.002101   0.038265  -0.033246   0.001581  -0.009359
    11  H    0.394650   0.003476   0.015857  -0.000132  -0.029547  -0.002353
    12  H    0.009708  -0.003830   0.003066   0.377819  -0.015553  -0.008944
    13  H   -0.005384  -0.038713   0.023856   0.364335   0.016123  -0.001946
    14  H    0.007808  -0.023317   0.001954  -0.005089   0.400517  -0.000092
    15  H   -0.005100  -0.028338   0.029351  -0.006633   0.370639   0.000501
    16  H   -0.002364  -0.027375   0.015846  -0.004552   0.002832   0.394718
    17  H   -0.009344   0.007577   0.038273  -0.001990   0.001755   0.363896
    18  H   -0.000091  -0.005797   0.001978   0.000109   0.000539   0.007801
    19  H    0.000502  -0.007144   0.029387  -0.000385  -0.000708  -0.005106
    20  H   -0.008953   0.002462   0.003057  -0.000034  -0.000123   0.009722
    21  H   -0.001937   0.000105   0.023838  -0.000058  -0.000224  -0.005373
               7          8          9         10         11         12
     1  C   -0.150572   0.017464   0.057523   0.363915   0.394650   0.009708
     2  C   -0.089701   0.038527   0.003239  -0.002101   0.003476  -0.003830
     3  C   -0.858762  -0.076298  -0.204559   0.038265   0.015857   0.003066
     4  C    0.003293  -0.004089   0.002681  -0.033246  -0.000132   0.377819
     5  C    0.038554   0.009022  -0.004090   0.001581  -0.029547  -0.015553
     6  C    0.608068  -0.232761  -0.133157  -0.009359  -0.002353  -0.008944
     7  C    6.148513  -0.147151  -0.011120   0.007565  -0.027366   0.002458
     8  C   -0.147151   5.927819   0.270436   0.001756   0.002829  -0.000123
     9  C   -0.011120   0.270436   6.000229  -0.001988  -0.004540  -0.000033
    10  H    0.007565   0.001756  -0.001988   0.451658   0.002828  -0.000542
    11  H   -0.027366   0.002829  -0.004540   0.002828   0.464610   0.000116
    12  H    0.002458  -0.000123  -0.000033  -0.000542   0.000116   0.415470
    13  H    0.000097  -0.000224  -0.000059   0.000626   0.000730   0.023612
    14  H   -0.005805   0.000547   0.000108  -0.000327  -0.000569  -0.002344
    15  H   -0.007146  -0.000709  -0.000385   0.000590   0.001642  -0.000882
    16  H    0.003442  -0.029523  -0.000134  -0.000655   0.000577   0.000345
    17  H   -0.002122   0.001568  -0.033256   0.002845  -0.000657   0.000056
    18  H   -0.023352   0.400521  -0.005063   0.000074   0.000216   0.000155
    19  H   -0.028331   0.370614  -0.006645  -0.000045   0.000247   0.000107
    20  H   -0.003799  -0.015555   0.377779   0.000056   0.000343   0.000008
    21  H   -0.038745   0.016135   0.364372  -0.000312   0.000521   0.000011
              13         14         15         16         17         18
     1  C   -0.005384   0.007808  -0.005100  -0.002364  -0.009344  -0.000091
     2  C   -0.038713  -0.023317  -0.028338  -0.027375   0.007577  -0.005797
     3  C    0.023856   0.001954   0.029351   0.015846   0.038273   0.001978
     4  C    0.364335  -0.005089  -0.006633  -0.004552  -0.001990   0.000109
     5  C    0.016123   0.400517   0.370639   0.002832   0.001755   0.000539
     6  C   -0.001946  -0.000092   0.000501   0.394718   0.363896   0.007801
     7  C    0.000097  -0.005805  -0.007146   0.003442  -0.002122  -0.023352
     8  C   -0.000224   0.000547  -0.000709  -0.029523   0.001568   0.400521
     9  C   -0.000059   0.000108  -0.000385  -0.000134  -0.033256  -0.005063
    10  H    0.000626  -0.000327   0.000590  -0.000655   0.002845   0.000074
    11  H    0.000730  -0.000569   0.001642   0.000577  -0.000657   0.000216
    12  H    0.023612  -0.002344  -0.000882   0.000345   0.000056   0.000155
    13  H    0.421374  -0.000391  -0.001101   0.000523  -0.000312   0.000066
    14  H   -0.000391   0.421488   0.021190   0.000217   0.000074  -0.001608
    15  H   -0.001101   0.021190   0.420524   0.000247  -0.000045  -0.000001
    16  H    0.000523   0.000217   0.000247   0.464599   0.002847  -0.000570
    17  H   -0.000312   0.000074  -0.000045   0.002847   0.451641  -0.000327
    18  H    0.000066  -0.001608  -0.000001  -0.000570  -0.000327   0.421483
    19  H    0.000016  -0.000001   0.000023   0.001641   0.000592   0.021185
    20  H    0.000011   0.000155   0.000107   0.000116  -0.000541  -0.002345
    21  H    0.000001   0.000066   0.000016   0.000728   0.000627  -0.000386
              19         20         21
     1  C    0.000502  -0.008953  -0.001937
     2  C   -0.007144   0.002462   0.000105
     3  C    0.029387   0.003057   0.023838
     4  C   -0.000385  -0.000034  -0.000058
     5  C   -0.000708  -0.000123  -0.000224
     6  C   -0.005106   0.009722  -0.005373
     7  C   -0.028331  -0.003799  -0.038745
     8  C    0.370614  -0.015555   0.016135
     9  C   -0.006645   0.377779   0.364372
    10  H   -0.000045   0.000056  -0.000312
    11  H    0.000247   0.000343   0.000521
    12  H    0.000107   0.000008   0.000011
    13  H    0.000016   0.000011   0.000001
    14  H   -0.000001   0.000155   0.000066
    15  H    0.000023   0.000107   0.000016
    16  H    0.001641   0.000116   0.000728
    17  H    0.000592  -0.000541   0.000627
    18  H    0.021185  -0.002345  -0.000386
    19  H    0.420507  -0.000886  -0.001106
    20  H   -0.000886   0.415497   0.023610
    21  H   -0.001106   0.023610   0.421344
 Mulliken charges:
               1
     1  C   -0.780799
     2  C    0.581977
     3  C    0.561397
     4  C   -0.671416
     5  C   -0.550770
     6  C   -0.780937
     7  C    0.581978
     8  C   -0.550807
     9  C   -0.671339
    10  H    0.176816
    11  H    0.176523
    12  H    0.199320
    13  H    0.196757
    14  H    0.185419
    15  H    0.205509
    16  H    0.176496
    17  H    0.176844
    18  H    0.185413
    19  H    0.205536
    20  H    0.199311
    21  H    0.196768
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C   -0.427459
     2  C    0.581977
     3  C    0.561397
     4  C   -0.275338
     5  C   -0.159842
     6  C   -0.427596
     7  C    0.581978
     8  C   -0.159857
     9  C   -0.275259
 Electronic spatial extent (au):  <R**2>=           1251.9814
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -0.0001    Y=             -0.0083    Z=             -0.0000  Tot=              0.0083
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -55.8549   YY=            -55.4009   ZZ=            -54.2414
   XY=              0.0006   XZ=             -0.8922   YZ=              0.0003
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -0.6892   YY=             -0.2351   ZZ=              0.9244
   XY=              0.0006   XZ=             -0.8922   YZ=              0.0003
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=              0.0021  YYY=              1.0758  ZZZ=             -0.0010  XYY=             -0.0015
  XXY=              5.5761  XXZ=             -0.0002  XZZ=             -0.0005  YZZ=             -1.6084
  YYZ=             -0.0004  XYZ=              0.8922
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -1139.5930 YYYY=           -352.6809 ZZZZ=           -250.9441 XXXY=             -0.0002
 XXXZ=            -15.6297 YYYX=              0.0073 YYYZ=              0.0048 ZZZX=              2.6726
 ZZZY=             -0.0035 XXYY=           -259.6576 XXZZ=           -232.2199 YYZZ=           -107.0881
 XXYZ=              0.0035 YYXZ=             -5.9444 ZZXY=              0.0004
 N-N= 4.312656317293D+02 E-N=-1.673328198011D+03  KE= 3.482404078807D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Thu Jul 22 18:54:08 2021, MaxMem=  5637144576 cpu:               2.6 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-2.25009523D-05 6.53947604D-04-1.57065588D-05
 Polarizability= 1.16205500D+02-2.55729108D-04 9.47190803D+01
                 1.21316547D+00 2.46043601D-04 9.01063663D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 2      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 3      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 4     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 5      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 6     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.7614   -0.7617       -0.0002   -0.0002
 2      0.7614    0.7617       -0.0001   -0.0001      -12.1147  -12.1175
 3      0.0002    0.0002       14.8288   14.8267        0.0001    0.0001
 4      0.0001    0.0001        0.0000    0.0000        0.0002    0.0002
 5     -2.7141   -2.7091       -0.0002   -0.0002       -0.7665   -0.7617
 6     -0.0001   -0.0001        0.7665    0.7617       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        2.2852    2.2852       -0.0005   -0.0005
 2      0.0002    0.0002       -0.0000    0.0000       -0.0005   -0.0005
 3      0.0002    0.0002        2.2852    2.2852        0.0000    0.0000
 4      2.2852    2.2852       -0.0002   -0.0002      -36.3526  -36.3526
 5      0.0005    0.0005       44.4800   44.4800        0.0002    0.0002
 6     -8.1274   -8.1274       -0.0005   -0.0005       -2.2852   -2.2852
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        2.8280    3.0469        0.0009    0.0006
 2     -2.9229   -3.0469        0.0002    0.0002       48.3230   48.4701
 3     -0.0007   -0.0006      -59.2740  -59.3067        0.0001   -0.0002
 4     -0.0002   -0.0002       -0.0743    0.0000       -0.0007   -0.0006
 5     10.7912   10.8365        0.0006    0.0006        3.1808    3.0469
 6      0.0002    0.0002       -3.1332   -3.0469       -0.0001    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       29.3661   29.3163        0.0019    0.0021
 2    -29.3357  -29.3163        0.0032    0.0032       22.9840   23.0311
 3     -0.0019   -0.0021      -24.8262  -24.7799       -0.0040   -0.0032
 4     -0.0036   -0.0032       -0.2558    0.0000       -0.0024   -0.0021
 5      1.5768    1.7488        0.0022    0.0021       28.9061   29.3163
 6      0.0036    0.0032      -29.0817  -29.3163        0.0006    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0067   -0.0068       46.9473   46.6519        0.0104    0.0104
 2     -0.0146   -0.0142       62.4314   62.3253        0.0100    0.0104
 3     -0.0144   -0.0142       46.8203   46.6519        0.0072    0.0075
 4    -15.5712  -15.6734        0.0073    0.0074        4.0068    4.0221
 5     -0.0030   -0.0029      -15.3338  -15.4147       -0.0079   -0.0074
 6     11.3337   11.3926        0.0032    0.0029       15.5775   15.6734
 Full mass-weighted force constant matrix:
 Low frequencies ---    0.0001    0.0004    0.0007    3.2993    4.5562   10.3355
 Low frequencies ---   93.3868  127.1124  136.7425
 Diagonal vibrational polarizability:
        1.1232731       1.2289847       0.8238067
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --     93.3867               127.1116               136.7420
 Red. masses --      3.4630                 2.6141                 2.4309
 Frc consts  --      0.0178                 0.0249                 0.0268
 IR Inten    --      0.0012                 0.0011                 0.0015
 RamAct Fr= 1--      1.0773                 0.1269                 0.4947
  Dep-P Fr= 1--      0.5451                 0.7500                 0.3457
  Dep-U Fr= 1--      0.7056                 0.8571                 0.5138
 Alpha2 Fr= 1--      0.0042                 0.0000                 0.0044
 Beta2  Fr= 1--      0.1267                 0.0181                 0.0424
 AlphaG Fr= 1--      0.0018                -0.0000                -0.0154
 Gamma2 Fr= 1--     -0.3264                -0.2376                -0.4668
 Delta2 Fr= 1--     -0.1537                -0.2097                -0.1584
 Raman1 Fr= 1--       4.309                  0.508                  1.979
 ROA1   Fr= 1--     -36.253                -29.518                -49.879
 CID1   Fr= 1--      -8.413                -58.143                -25.209
 Raman2 Fr= 1--       1.520                  0.218                  0.508
 ROA2   Fr= 1--      -6.605                 -4.024                 -9.936
 CID2   Fr= 1--      -4.345                -18.495                -19.546
 Raman3 Fr= 1--       3.040                  0.435                  1.017
 ROA3   Fr= 1--     -36.253                -29.518                -49.879
 CID3   Fr= 1--     -11.923                -67.833                -49.062
 RC180  Fr= 1--       0.411                  0.714                  0.028
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.05   0.11   0.03     0.09   0.05  -0.05     0.05   0.05   0.09
     2   6    -0.03   0.05   0.01     0.01   0.01  -0.06     0.03   0.00   0.04
     3   6     0.00   0.13  -0.00    -0.00   0.00  -0.14    -0.00  -0.06  -0.00
     4   6    -0.07  -0.16   0.00    -0.14  -0.02   0.15     0.02  -0.08   0.04
     5   6    -0.23  -0.04  -0.04     0.04   0.02  -0.00     0.10   0.05  -0.16
     6   6    -0.05   0.11  -0.03     0.09  -0.05  -0.05    -0.05   0.05  -0.09
     7   6     0.03   0.05  -0.01     0.01  -0.01  -0.06    -0.03   0.00  -0.04
     8   6     0.23  -0.04   0.04     0.04  -0.02  -0.00    -0.10   0.05   0.16
     9   6     0.07  -0.16  -0.00    -0.14   0.02   0.15    -0.02  -0.08  -0.04
    10   1     0.10   0.08   0.08     0.06   0.06   0.02    -0.03   0.07   0.19
    11   1     0.07   0.16   0.01     0.19   0.08  -0.09     0.16   0.10   0.05
    12   1    -0.09  -0.18  -0.00    -0.36  -0.06   0.12    -0.02  -0.28   0.01
    13   1     0.01  -0.29   0.02    -0.08  -0.01   0.36     0.01   0.01   0.16
    14   1    -0.36   0.01  -0.08    -0.03  -0.01  -0.14     0.15  -0.06  -0.32
    15   1    -0.26  -0.09  -0.05     0.22   0.08   0.10     0.13   0.25  -0.19
    16   1    -0.07   0.16  -0.01     0.19  -0.08  -0.09    -0.16   0.10  -0.05
    17   1    -0.10   0.08  -0.08     0.06  -0.06   0.02     0.03   0.07  -0.19
    18   1     0.36   0.01   0.08    -0.03   0.01  -0.14    -0.15  -0.06   0.32
    19   1     0.26  -0.09   0.05     0.22  -0.08   0.10    -0.13   0.25   0.19
    20   1     0.09  -0.18   0.00    -0.36   0.06   0.12     0.02  -0.28  -0.01
    21   1    -0.01  -0.29  -0.02    -0.08   0.01   0.36    -0.01   0.01  -0.16
                      4                      5                      6
                      A                      A                      A
 Frequencies --    243.9944               261.0571               309.6948
 Red. masses --      2.4431                 2.4648                 2.5338
 Frc consts  --      0.0857                 0.0990                 0.1432
 IR Inten    --      0.0276                 0.0233                 0.1247
 RamAct Fr= 1--      3.0343                 1.2637                 0.0691
  Dep-P Fr= 1--      0.4906                 0.7500                 0.7500
  Dep-U Fr= 1--      0.6583                 0.8571                 0.8571
 Alpha2 Fr= 1--      0.0156                 0.0000                 0.0000
 Beta2  Fr= 1--      0.3329                 0.1805                 0.0099
 AlphaG Fr= 1--      0.0049                -0.0000                -0.0000
 Gamma2 Fr= 1--     -0.4038                 1.0587                -0.0032
 Delta2 Fr= 1--     -0.1267                 0.2513                -0.0281
 Raman1 Fr= 1--      12.137                  5.055                  0.277
 ROA1   Fr= 1--     -42.820                109.673                 -1.211
 CID1   Fr= 1--      -3.528                 21.697                 -4.379
 Raman2 Fr= 1--       3.995                  2.166                  0.119
 ROA2   Fr= 1--      -8.678                 23.397                  0.147
 CID2   Fr= 1--      -2.172                 10.800                  1.243
 Raman3 Fr= 1--       7.990                  4.333                  0.237
 ROA3   Fr= 1--     -42.820                109.673                 -1.211
 CID3   Fr= 1--      -5.359                 25.313                 -5.109
 RC180  Fr= 1--       0.317                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.12  -0.01  -0.08    -0.02  -0.13   0.01     0.04   0.07   0.07
     2   6    -0.01   0.01  -0.10    -0.08  -0.11   0.07    -0.07  -0.13  -0.09
     3   6     0.00  -0.04  -0.00    -0.06  -0.00   0.03    -0.01   0.00  -0.00
     4   6    -0.16  -0.01   0.09    -0.03  -0.01   0.02    -0.06   0.08  -0.07
     5   6     0.00   0.02  -0.04     0.13  -0.00  -0.08     0.06  -0.09   0.06
     6   6     0.12  -0.01   0.08    -0.02   0.13   0.01     0.04  -0.07   0.07
     7   6     0.01   0.01   0.10    -0.08   0.11   0.07    -0.07   0.13  -0.09
     8   6    -0.00   0.02   0.04     0.13   0.00  -0.08     0.06   0.09   0.06
     9   6     0.16  -0.01  -0.09    -0.03   0.01   0.02    -0.06  -0.08  -0.07
    10   1    -0.18   0.02  -0.15     0.05  -0.14  -0.09     0.24  -0.03   0.26
    11   1    -0.19  -0.07  -0.04    -0.03  -0.22   0.03    -0.06   0.32   0.03
    12   1    -0.40  -0.02   0.05    -0.01  -0.18  -0.00    -0.01   0.19  -0.05
    13   1    -0.08  -0.04   0.30    -0.11   0.18   0.08    -0.13   0.17  -0.15
    14   1    -0.06  -0.02  -0.19     0.35  -0.17  -0.16     0.14  -0.07   0.17
    15   1     0.16   0.10   0.04     0.10   0.24  -0.16     0.10  -0.16   0.10
    16   1     0.19  -0.07   0.04    -0.03   0.22   0.04    -0.06  -0.32   0.03
    17   1     0.18   0.02   0.15     0.05   0.14  -0.09     0.24   0.03   0.26
    18   1     0.06  -0.02   0.19     0.35   0.17  -0.16     0.14   0.07   0.17
    19   1    -0.17   0.10  -0.04     0.10  -0.24  -0.16     0.10   0.16   0.10
    20   1     0.40  -0.02  -0.05    -0.01   0.18  -0.00    -0.01  -0.19  -0.05
    21   1     0.08  -0.04  -0.30    -0.11  -0.18   0.08    -0.13  -0.17  -0.15
                      7                      8                      9
                      A                      A                      A
 Frequencies --    402.1717               425.9712               461.3136
 Red. masses --      2.1065                 2.4669                 2.7609
 Frc consts  --      0.2007                 0.2637                 0.3462
 IR Inten    --      0.1469                 0.0677                 0.2767
 RamAct Fr= 1--      2.5519                 3.1764                 4.7795
  Dep-P Fr= 1--      0.7440                 0.7500                 0.5575
  Dep-U Fr= 1--      0.8532                 0.8571                 0.7159
 Alpha2 Fr= 1--      0.0003                 0.0000                 0.0175
 Beta2  Fr= 1--      0.3629                 0.4538                 0.5703
 AlphaG Fr= 1--      0.0021                 0.0000                 0.0033
 Gamma2 Fr= 1--     -1.4954                 0.1635                 0.8815
 Delta2 Fr= 1--      0.2368                 0.0677                 0.3467
 Raman1 Fr= 1--      10.208                 12.706                 19.118
 ROA1   Fr= 1--    -135.982                 17.865                 95.719
 CID1   Fr= 1--     -13.322                  1.406                  5.007
 Raman2 Fr= 1--       4.355                  5.445                  6.843
 ROA2   Fr= 1--     -37.784                  3.383                 18.383
 CID2   Fr= 1--      -8.677                  0.621                  2.686
 Raman3 Fr= 1--       8.709                 10.891                 13.686
 ROA3   Fr= 1--    -135.982                 17.865                 95.719
 CID3   Fr= 1--     -15.613                  1.640                  6.994
 RC180  Fr= 1--       0.706                  0.714                  0.432
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.06  -0.11  -0.10     0.15  -0.01   0.01     0.12  -0.00   0.00
     2   6    -0.02   0.04   0.09    -0.08   0.02   0.11    -0.12  -0.11  -0.04
     3   6     0.00   0.12   0.00    -0.09   0.00  -0.13    -0.00   0.09   0.00
     4   6     0.02  -0.01   0.03     0.01   0.05  -0.02    -0.14   0.08  -0.06
     5   6    -0.03   0.06  -0.04    -0.08   0.06  -0.01     0.01  -0.04  -0.04
     6   6    -0.06  -0.11   0.10     0.15   0.01   0.01    -0.12  -0.00  -0.00
     7   6     0.02   0.04  -0.09    -0.08  -0.02   0.11     0.12  -0.11   0.04
     8   6     0.03   0.06   0.04    -0.08  -0.06  -0.01    -0.01  -0.04   0.04
     9   6    -0.02  -0.01  -0.03     0.01  -0.05  -0.02     0.14   0.08   0.06
    10   1     0.14  -0.11  -0.40     0.11  -0.01   0.15     0.37  -0.11   0.14
    11   1     0.01  -0.39  -0.01     0.46   0.01  -0.07     0.09   0.17  -0.04
    12   1     0.04  -0.13   0.01     0.23  -0.05  -0.01    -0.17   0.07  -0.06
    13   1     0.01   0.03   0.07    -0.10   0.16  -0.17    -0.21   0.23  -0.03
    14   1     0.06  -0.01  -0.09    -0.01   0.06   0.07     0.20  -0.14  -0.01
    15   1    -0.11   0.20  -0.13    -0.21   0.06  -0.10     0.01   0.08  -0.07
    16   1    -0.01  -0.39   0.01     0.46  -0.01  -0.07    -0.09   0.17   0.04
    17   1    -0.14  -0.11   0.40     0.11   0.01   0.15    -0.37  -0.11  -0.14
    18   1    -0.06  -0.01   0.09    -0.01  -0.06   0.07    -0.20  -0.14   0.01
    19   1     0.11   0.20   0.13    -0.21  -0.06  -0.10    -0.01   0.08   0.07
    20   1    -0.04  -0.13  -0.01     0.23   0.05  -0.01     0.17   0.07   0.06
    21   1    -0.01   0.03  -0.07    -0.10  -0.16  -0.17     0.21   0.23   0.03
                     10                     11                     12
                      A                      A                      A
 Frequencies --    565.9291               624.9180               661.3826
 Red. masses --      3.3798                 3.0782                 2.8453
 Frc consts  --      0.6378                 0.7083                 0.7333
 IR Inten    --      0.2920                 0.3828                 0.1138
 RamAct Fr= 1--     22.8361                17.0123                11.7282
  Dep-P Fr= 1--      0.1722                 0.7500                 0.6746
  Dep-U Fr= 1--      0.2938                 0.8571                 0.8057
 Alpha2 Fr= 1--      0.3335                 0.0000                 0.0157
 Beta2  Fr= 1--      1.1182                 2.4303                 1.5748
 AlphaG Fr= 1--      0.0877                 0.0000                 0.0079
 Gamma2 Fr= 1--     -0.3668                -0.8372                 2.8351
 Delta2 Fr= 1--     -0.8662                 3.1724                -2.3136
 Raman1 Fr= 1--      91.344                 68.049                 46.913
 ROA1   Fr= 1--     -62.931                 21.150                198.132
 CID1   Fr= 1--      -0.689                  0.311                  4.223
 Raman2 Fr= 1--      13.419                 29.164                 18.898
 ROA2   Fr= 1--      -1.873                -45.471                 86.551
 CID2   Fr= 1--      -0.140                 -1.559                  4.580
 Raman3 Fr= 1--      26.837                 58.328                 37.796
 ROA3   Fr= 1--     -62.931                 21.150                198.132
 CID3   Fr= 1--      -2.345                  0.363                  5.242
 RC180  Fr= 1--      -0.412                  0.714                  0.611
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.12   0.06  -0.12     0.11  -0.08   0.04    -0.14   0.08   0.01
     2   6     0.10   0.04  -0.15     0.04   0.01  -0.04    -0.09  -0.05   0.08
     3   6     0.00   0.15   0.00     0.13  -0.00   0.21     0.00   0.21   0.00
     4   6     0.06  -0.09  -0.01    -0.08   0.12  -0.01     0.02  -0.08   0.00
     5   6     0.13  -0.06   0.04    -0.10   0.05  -0.07     0.07  -0.05   0.06
     6   6    -0.12   0.06   0.12     0.11   0.08   0.04     0.14   0.08  -0.01
     7   6    -0.10   0.04   0.15     0.04  -0.01  -0.04     0.09  -0.05  -0.08
     8   6    -0.13  -0.06  -0.04    -0.10  -0.05  -0.07    -0.07  -0.05  -0.06
     9   6    -0.06  -0.09   0.01    -0.08  -0.12  -0.01    -0.02  -0.08  -0.00
    10   1     0.27   0.01  -0.19     0.32  -0.14  -0.15     0.01   0.03  -0.09
    11   1     0.03   0.09  -0.11    -0.18  -0.17   0.14    -0.38   0.10   0.06
    12   1    -0.15   0.05  -0.02    -0.25   0.21  -0.03     0.09  -0.23  -0.00
    13   1     0.19  -0.25   0.13    -0.04   0.07   0.05    -0.02   0.04   0.05
    14   1     0.02  -0.03  -0.02    -0.15   0.05  -0.13     0.35  -0.18   0.12
    15   1     0.27  -0.14   0.15    -0.09   0.11  -0.08    -0.04   0.08  -0.05
    16   1    -0.03   0.09   0.11    -0.18   0.17   0.14     0.38   0.10  -0.06
    17   1    -0.27   0.01   0.19     0.32   0.14  -0.15    -0.01   0.03   0.09
    18   1    -0.02  -0.03   0.02    -0.15  -0.05  -0.13    -0.35  -0.18  -0.12
    19   1    -0.27  -0.14  -0.15    -0.09  -0.11  -0.08     0.04   0.08   0.05
    20   1     0.15   0.05   0.02    -0.25  -0.21  -0.03    -0.09  -0.23   0.00
    21   1    -0.19  -0.25  -0.13    -0.04  -0.07   0.05     0.02   0.04  -0.05
                     13                     14                     15
                      A                      A                      A
 Frequencies --    791.5430               795.9907               861.6292
 Red. masses --      1.0305                 1.0477                 1.4451
 Frc consts  --      0.3804                 0.3911                 0.6321
 IR Inten    --      0.1017                 0.0658                 0.7784
 RamAct Fr= 1--      1.0844                 1.0387                 3.6148
  Dep-P Fr= 1--      0.7500                 0.6238                 0.7500
  Dep-U Fr= 1--      0.8571                 0.7683                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0024                 0.0000
 Beta2  Fr= 1--      0.1549                 0.1330                 0.5164
 AlphaG Fr= 1--      0.0000                 0.0097                 0.0000
 Gamma2 Fr= 1--      0.5780                -0.8793                -0.5451
 Delta2 Fr= 1--     -0.2137                 0.0396                -1.9909
 Raman1 Fr= 1--       4.338                  4.155                 14.459
 ROA1   Fr= 1--      48.648                -83.146               -116.038
 CID1   Fr= 1--      11.215                -20.012                 -8.025
 Raman2 Fr= 1--       1.859                  1.596                  6.197
 ROA2   Fr= 1--      15.581                -21.419                  2.844
 CID2   Fr= 1--       8.381                -13.420                  0.459
 Raman3 Fr= 1--       3.718                  3.192                 12.393
 ROA3   Fr= 1--      48.648                -83.146               -116.038
 CID3   Fr= 1--      13.084                -26.046                 -9.363
 RC180  Fr= 1--       0.714                  0.537                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.01  -0.01     0.01   0.00  -0.01     0.01   0.00   0.06
     2   6     0.00   0.00  -0.01     0.01   0.01  -0.02     0.04   0.03   0.02
     3   6     0.02  -0.00   0.01     0.00  -0.03   0.00    -0.01   0.00  -0.00
     4   6     0.01   0.00  -0.01     0.01   0.00  -0.01    -0.07   0.01  -0.02
     5   6     0.01   0.01  -0.01     0.01   0.01  -0.01     0.04  -0.06  -0.05
     6   6     0.00  -0.01  -0.01    -0.01   0.00   0.01     0.01  -0.00   0.06
     7   6     0.00  -0.00  -0.01    -0.01   0.01   0.02     0.04  -0.03   0.02
     8   6     0.01  -0.01  -0.01    -0.01   0.01   0.01     0.04   0.06  -0.05
     9   6     0.01  -0.00  -0.01    -0.01   0.00   0.01    -0.07  -0.01  -0.02
    10   1     0.02   0.01  -0.04    -0.03   0.02  -0.00    -0.25   0.13  -0.15
    11   1    -0.06   0.02   0.00     0.04   0.01  -0.02     0.16  -0.30   0.11
    12   1    -0.14  -0.31  -0.07    -0.14  -0.31  -0.07     0.08  -0.01  -0.01
    13   1    -0.02   0.22   0.28    -0.02   0.22   0.27    -0.17   0.16  -0.12
    14   1     0.09   0.12   0.31     0.05   0.16   0.31    -0.16   0.10   0.04
    15   1    -0.26  -0.21  -0.12    -0.23  -0.25  -0.10     0.15  -0.30   0.09
    16   1    -0.06  -0.02   0.00    -0.04   0.01   0.02     0.16   0.31   0.11
    17   1     0.02  -0.01  -0.04     0.03   0.02   0.00    -0.26  -0.13  -0.16
    18   1     0.09  -0.12   0.31    -0.05   0.16  -0.31    -0.16  -0.10   0.04
    19   1    -0.26   0.21  -0.12     0.23  -0.25   0.10     0.16   0.31   0.09
    20   1    -0.14   0.31  -0.07     0.14  -0.31   0.07     0.09   0.01  -0.01
    21   1    -0.02  -0.22   0.28     0.02   0.22  -0.27    -0.18  -0.16  -0.12
                     16                     17                     18
                      A                      A                      A
 Frequencies --    862.0283               876.7302               906.4135
 Red. masses --      1.5158                 1.6655                 2.7703
 Frc consts  --      0.6636                 0.7543                 1.3410
 IR Inten    --      0.5356                 3.5676                14.6226
 RamAct Fr= 1--      9.0295                 8.4894                 2.6756
  Dep-P Fr= 1--      0.7221                 0.7500                 0.7203
  Dep-U Fr= 1--      0.8386                 0.8571                 0.8374
 Alpha2 Fr= 1--      0.0043                 0.0000                 0.0014
 Beta2  Fr= 1--      1.2621                 1.2128                 0.3734
 AlphaG Fr= 1--      0.0094                -0.0000                 0.0066
 Gamma2 Fr= 1--     -4.5808                -0.8358                 6.1850
 Delta2 Fr= 1--     -2.0571                -1.1282                 3.3347
 Raman1 Fr= 1--      36.118                 33.958                 10.702
 ROA1   Fr= 1--    -505.589               -116.338                700.471
 CID1   Fr= 1--     -13.998                 -3.426                 65.451
 Raman2 Fr= 1--      15.145                 14.553                  4.481
 ROA2   Fr= 1--     -93.483                -11.033                121.763
 CID2   Fr= 1--      -6.173                 -0.758                 27.173
 Raman3 Fr= 1--      30.290                 29.107                  8.962
 ROA3   Fr= 1--    -505.589               -116.338                700.471
 CID3   Fr= 1--     -16.692                 -3.997                 78.160
 RC180  Fr= 1--       0.677                  0.714                  0.675
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.06   0.01    -0.04  -0.12   0.05     0.02   0.03  -0.17
     2   6     0.01  -0.04  -0.04     0.06   0.00  -0.02    -0.11  -0.00  -0.02
     3   6     0.00   0.01   0.00    -0.06   0.00  -0.03     0.00  -0.14   0.00
     4   6     0.09   0.03   0.03     0.02   0.05  -0.02     0.01  -0.09   0.00
     5   6    -0.06   0.05   0.01    -0.01  -0.03  -0.03     0.01   0.10   0.09
     6   6     0.02  -0.06  -0.01    -0.04   0.12   0.05    -0.02   0.03   0.17
     7   6    -0.01  -0.04   0.04     0.06  -0.00  -0.02     0.11  -0.00   0.02
     8   6     0.05   0.05  -0.01    -0.01   0.03  -0.03    -0.01   0.10  -0.09
     9   6    -0.09   0.03  -0.03     0.02  -0.05  -0.02    -0.01  -0.09  -0.00
    10   1     0.25  -0.18   0.21    -0.23  -0.08   0.42    -0.11   0.04   0.20
    11   1    -0.21   0.26  -0.03     0.26   0.13  -0.09     0.22   0.28  -0.29
    12   1    -0.18   0.04  -0.00    -0.25   0.10  -0.04     0.18  -0.14   0.02
    13   1     0.24  -0.15   0.22     0.15  -0.07   0.18    -0.09  -0.01  -0.14
    14   1     0.06  -0.03  -0.03    -0.02  -0.01   0.00     0.10   0.01   0.02
    15   1    -0.16   0.19  -0.09    -0.01  -0.06  -0.03    -0.08   0.24   0.00
    16   1     0.20   0.25   0.03     0.26  -0.13  -0.09    -0.22   0.28   0.29
    17   1    -0.24  -0.18  -0.21    -0.23   0.08   0.42     0.11   0.04  -0.20
    18   1    -0.05  -0.03   0.03    -0.02   0.01   0.00    -0.10   0.01  -0.02
    19   1     0.16   0.18   0.09    -0.01   0.06  -0.03     0.08   0.24  -0.00
    20   1     0.18   0.04   0.00    -0.25  -0.10  -0.04    -0.18  -0.14  -0.02
    21   1    -0.23  -0.14  -0.22     0.15   0.07   0.18     0.09  -0.01   0.14
                     19                     20                     21
                      A                      A                      A
 Frequencies --    928.4293               933.5933               966.3067
 Red. masses --      2.0379                 3.5645                 1.3546
 Frc consts  --      1.0350                 1.8305                 0.7453
 IR Inten    --      5.4253                23.0296                 0.8269
 RamAct Fr= 1--      0.2111                 2.1221                 3.7020
  Dep-P Fr= 1--      0.7500                 0.7500                 0.7192
  Dep-U Fr= 1--      0.8571                 0.8571                 0.8367
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0020
 Beta2  Fr= 1--      0.0302                 0.3032                 0.5162
 AlphaG Fr= 1--      0.0000                 0.0000                -0.0121
 Gamma2 Fr= 1--      0.7612                 2.3654                -1.6244
 Delta2 Fr= 1--      0.1169                 1.0714                -0.7699
 Raman1 Fr= 1--       0.844                  8.488                 14.808
 ROA1   Fr= 1--      76.810                261.367               -180.585
 CID1   Fr= 1--      90.956                 30.792                -12.195
 Raman2 Fr= 1--       0.362                  3.638                  6.195
 ROA2   Fr= 1--      17.333                 48.199                -32.827
 CID2   Fr= 1--      47.892                 13.250                 -5.299
 Raman3 Fr= 1--       0.724                  7.276                 12.390
 ROA3   Fr= 1--      76.810                261.367               -180.585
 CID3   Fr= 1--     106.115                 35.924                -14.576
 RC180  Fr= 1--       0.714                  0.714                  0.673
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.07  -0.05    -0.08   0.03  -0.02    -0.00  -0.00   0.00
     2   6     0.03   0.03   0.10     0.06  -0.14   0.02    -0.02  -0.05  -0.04
     3   6     0.10   0.00   0.02     0.07  -0.00  -0.11    -0.00   0.03  -0.00
     4   6    -0.04   0.04  -0.04     0.08   0.11   0.18     0.01  -0.01   0.08
     5   6    -0.03  -0.13   0.01    -0.08  -0.07  -0.12     0.01   0.05  -0.04
     6   6    -0.00  -0.07  -0.05    -0.08  -0.03  -0.02     0.00  -0.00  -0.00
     7   6     0.03  -0.03   0.10     0.06   0.14   0.02     0.02  -0.05   0.04
     8   6    -0.03   0.13   0.01    -0.08   0.07  -0.12    -0.01   0.05   0.04
     9   6    -0.04  -0.04  -0.04     0.08  -0.11   0.18    -0.01  -0.01  -0.08
    10   1    -0.18   0.14  -0.04     0.02  -0.01  -0.00     0.21  -0.09  -0.03
    11   1     0.11   0.00  -0.06    -0.14   0.10  -0.03    -0.21   0.07   0.03
    12   1    -0.17   0.15  -0.03     0.34   0.02   0.20     0.32  -0.16   0.09
    13   1    -0.01   0.02   0.05    -0.07   0.29  -0.02    -0.13   0.15  -0.13
    14   1     0.33  -0.35  -0.02    -0.21  -0.02  -0.14    -0.26   0.21  -0.02
    15   1    -0.16   0.21  -0.17    -0.09  -0.15  -0.11     0.15  -0.21   0.12
    16   1     0.11  -0.00  -0.06    -0.14  -0.10  -0.03     0.21   0.07  -0.03
    17   1    -0.18  -0.14  -0.04     0.02   0.01  -0.00    -0.21  -0.09   0.03
    18   1     0.33   0.35  -0.02    -0.21   0.01  -0.14     0.26   0.21   0.02
    19   1    -0.16  -0.21  -0.17    -0.09   0.15  -0.11    -0.15  -0.21  -0.11
    20   1    -0.17  -0.15  -0.03     0.34  -0.02   0.20    -0.31  -0.16  -0.09
    21   1    -0.01  -0.02   0.05    -0.07  -0.29  -0.02     0.13   0.15   0.13
                     22                     23                     24
                      A                      A                      A
 Frequencies --    994.6179              1011.5672              1034.3408
 Red. masses --      2.8669                 1.2651                 1.2653
 Frc consts  --      1.6710                 0.7627                 0.7976
 IR Inten    --      2.9611                 1.9409                 5.3207
 RamAct Fr= 1--     59.2702                 0.6742                 3.4911
  Dep-P Fr= 1--      0.0301                 0.7500                 0.5034
  Dep-U Fr= 1--      0.0585                 0.8571                 0.6697
 Alpha2 Fr= 1--      1.2272                 0.0000                 0.0170
 Beta2  Fr= 1--      0.5778                 0.0963                 0.3897
 AlphaG Fr= 1--      0.0735                -0.0000                 0.0131
 Gamma2 Fr= 1--     -2.5138                -0.9467                -1.4874
 Delta2 Fr= 1--     -0.5221                -0.3683                -1.0790
 Raman1 Fr= 1--     237.081                  2.697                 13.965
 ROA1   Fr= 1--    -258.034               -102.670               -177.317
 CID1   Fr= 1--      -1.088                -38.074                -12.698
 Raman2 Fr= 1--       6.934                  1.156                  4.676
 ROA2   Fr= 1--     -56.154                -19.775                -27.065
 CID2   Fr= 1--      -8.099                -17.111                 -5.788
 Raman3 Fr= 1--      13.867                  2.311                  9.352
 ROA3   Fr= 1--    -258.034               -102.670               -177.317
 CID3   Fr= 1--     -18.607                -44.419                -18.959
 RC180  Fr= 1--      -0.883                  0.714                  0.339
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.08   0.12    -0.05   0.04   0.03    -0.05   0.01  -0.02
     2   6    -0.05   0.05  -0.03     0.01   0.00   0.01     0.00  -0.01  -0.00
     3   6     0.00   0.01  -0.00    -0.03  -0.00  -0.03    -0.00   0.02   0.00
     4   6    -0.08  -0.08  -0.13     0.00   0.05  -0.00    -0.01   0.06   0.02
     5   6     0.04   0.14   0.07    -0.04  -0.01  -0.04    -0.05  -0.01  -0.04
     6   6     0.00  -0.08  -0.12    -0.05  -0.04   0.03     0.05   0.01   0.02
     7   6     0.05   0.05   0.03     0.01  -0.00   0.01    -0.00  -0.01   0.00
     8   6    -0.04   0.14  -0.07    -0.04   0.01  -0.04     0.05  -0.01   0.04
     9   6     0.08  -0.08   0.13     0.00  -0.05  -0.00     0.01   0.06  -0.02
    10   1     0.13  -0.12   0.04     0.34  -0.10  -0.14     0.09  -0.06   0.06
    11   1    -0.09  -0.15   0.17     0.22  -0.18   0.03     0.31  -0.05  -0.08
    12   1    -0.15  -0.17  -0.16     0.01  -0.15  -0.03     0.15  -0.27  -0.01
    13   1     0.04  -0.28  -0.07     0.20  -0.28   0.07     0.15  -0.26  -0.01
    14   1     0.03   0.21   0.17     0.20  -0.05   0.14     0.24  -0.07   0.16
    15   1     0.20   0.03   0.21     0.18  -0.07   0.12     0.25  -0.07   0.16
    16   1     0.09  -0.15  -0.17     0.22   0.18   0.03    -0.31  -0.05   0.08
    17   1    -0.13  -0.12  -0.04     0.34   0.10  -0.14    -0.09  -0.06  -0.06
    18   1    -0.03   0.21  -0.17     0.20   0.05   0.14    -0.24  -0.07  -0.16
    19   1    -0.20   0.03  -0.21     0.18   0.07   0.12    -0.25  -0.07  -0.16
    20   1     0.15  -0.17   0.16     0.01   0.15  -0.03    -0.15  -0.27   0.01
    21   1    -0.04  -0.28   0.06     0.20   0.28   0.07    -0.15  -0.26   0.01
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1055.9424              1064.6377              1073.8942
 Red. masses --      1.3134                 1.5742                 1.3349
 Frc consts  --      0.8628                 1.0512                 0.9070
 IR Inten    --      6.3927                 2.2464                 0.3236
 RamAct Fr= 1--      2.7196                 1.2429                 3.6073
  Dep-P Fr= 1--      0.7500                 0.7500                 0.6993
  Dep-U Fr= 1--      0.8571                 0.8571                 0.8230
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0032
 Beta2  Fr= 1--      0.3885                 0.1776                 0.4948
 AlphaG Fr= 1--     -0.0000                -0.0000                -0.0290
 Gamma2 Fr= 1--     -0.0819                 1.1809                 0.4603
 Delta2 Fr= 1--      2.0206                 0.4102                -0.4522
 Raman1 Fr= 1--      10.878                  4.972                 14.429
 ROA1   Fr= 1--      56.796                126.492                 29.715
 CID1   Fr= 1--       5.221                 25.442                  2.059
 Raman2 Fr= 1--       4.662                  2.131                  5.938
 ROA2   Fr= 1--     -18.131                 25.059                 14.663
 CID2   Fr= 1--      -3.889                 11.761                  2.469
 Raman3 Fr= 1--       9.324                  4.262                 11.876
 ROA3   Fr= 1--      56.796                126.492                 29.715
 CID3   Fr= 1--       6.091                 29.682                  2.502
 RC180  Fr= 1--       0.714                  0.714                  0.646
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.04   0.04    -0.09  -0.01  -0.06     0.10  -0.02  -0.01
     2   6    -0.01  -0.01  -0.00     0.01   0.04   0.02     0.00  -0.00   0.00
     3   6    -0.05  -0.00  -0.05     0.08  -0.00   0.11     0.00  -0.01   0.00
     4   6     0.05  -0.02  -0.01    -0.04  -0.04  -0.01    -0.02   0.05   0.00
     5   6     0.04  -0.02   0.03     0.03   0.00   0.00    -0.02  -0.01  -0.01
     6   6    -0.03  -0.04   0.04    -0.09   0.01  -0.06    -0.10  -0.02   0.01
     7   6    -0.01   0.01  -0.00     0.01  -0.04   0.02    -0.00  -0.00  -0.00
     8   6     0.04   0.02   0.03     0.03  -0.00   0.00     0.02  -0.01   0.01
     9   6     0.05   0.02  -0.01    -0.04   0.04  -0.01     0.02   0.05  -0.00
    10   1     0.21  -0.03  -0.18     0.31  -0.19   0.18    -0.36   0.16   0.00
    11   1     0.15  -0.19   0.06     0.36   0.11  -0.20    -0.44   0.14   0.07
    12   1    -0.22   0.31   0.00     0.08  -0.03   0.01     0.10  -0.20  -0.01
    13   1     0.03   0.10   0.13    -0.19   0.22  -0.08     0.08  -0.18  -0.03
    14   1    -0.22   0.03  -0.16    -0.14   0.06  -0.06     0.10  -0.04   0.06
    15   1    -0.25   0.02  -0.18     0.04  -0.05   0.02     0.07   0.02   0.04
    16   1     0.15   0.19   0.06     0.36  -0.11  -0.20     0.44   0.14  -0.07
    17   1     0.21   0.03  -0.18     0.31   0.19   0.18     0.36   0.16  -0.00
    18   1    -0.22  -0.03  -0.16    -0.14  -0.06  -0.06    -0.10  -0.04  -0.06
    19   1    -0.25  -0.02  -0.18     0.04   0.05   0.02    -0.07   0.02  -0.04
    20   1    -0.22  -0.31   0.00     0.08   0.03   0.01    -0.10  -0.20   0.01
    21   1     0.03  -0.10   0.13    -0.19  -0.22  -0.08    -0.08  -0.18   0.03
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1078.8696              1079.4291              1105.0154
 Red. masses --      1.4365                 1.4228                 1.7863
 Frc consts  --      0.9851                 0.9768                 1.2851
 IR Inten    --      0.5532                 0.7807                 3.7244
 RamAct Fr= 1--      0.4549                 1.2367                 0.9917
  Dep-P Fr= 1--      0.7500                 0.7346                 0.4269
  Dep-U Fr= 1--      0.8571                 0.8470                 0.5984
 Alpha2 Fr= 1--      0.0000                 0.0003                 0.0067
 Beta2  Fr= 1--      0.0650                 0.1746                 0.0989
 AlphaG Fr= 1--     -0.0000                 0.0035                -0.0054
 Gamma2 Fr= 1--      0.1428                 0.0952                 1.2210
 Delta2 Fr= 1--     -0.2100                -0.4456                -0.1962
 Raman1 Fr= 1--       1.819                  4.947                  3.967
 ROA1   Fr= 1--       6.994                 -5.125                110.934
 CID1   Fr= 1--       3.844                 -1.036                 27.965
 Raman2 Fr= 1--       0.780                  2.095                  1.187
 ROA2   Fr= 1--       5.108                  5.849                 30.873
 CID2   Fr= 1--       6.551                  2.792                 26.013
 Raman3 Fr= 1--       1.560                  4.190                  2.374
 ROA3   Fr= 1--       6.994                 -5.125                110.934
 CID3   Fr= 1--       4.485                 -1.223                 46.735
 RC180  Fr= 1--       0.714                  0.694                  0.197
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00     0.02  -0.01  -0.00    -0.03  -0.11  -0.03
     2   6    -0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.03   0.06
     3   6     0.01  -0.00   0.01    -0.00   0.01  -0.00     0.00   0.17   0.00
     4   6    -0.06   0.08  -0.01     0.06  -0.07   0.01    -0.00   0.00  -0.02
     5   6     0.08  -0.03   0.04    -0.08   0.03  -0.05     0.04  -0.02  -0.02
     6   6    -0.00   0.00  -0.00    -0.02  -0.01   0.00     0.03  -0.11   0.03
     7   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00   0.03  -0.06
     8   6     0.08   0.03   0.04     0.08   0.03   0.05    -0.04  -0.02   0.02
     9   6    -0.06  -0.08  -0.01    -0.06  -0.07  -0.01     0.00   0.00   0.02
    10   1    -0.00  -0.01   0.02    -0.10   0.04   0.01    -0.30  -0.05   0.39
    11   1    -0.01   0.02  -0.01    -0.06   0.02   0.01     0.14   0.23  -0.17
    12   1     0.18  -0.33  -0.03    -0.15   0.28   0.03    -0.06   0.02  -0.02
    13   1     0.14  -0.31  -0.03    -0.13   0.28   0.02    -0.00   0.04   0.05
    14   1    -0.28   0.05  -0.18     0.29  -0.05   0.20    -0.23   0.10  -0.09
    15   1    -0.25   0.05  -0.19     0.30  -0.06   0.22     0.10  -0.15   0.05
    16   1    -0.01  -0.02  -0.01     0.06   0.02  -0.01    -0.14   0.23   0.17
    17   1    -0.00   0.01   0.02     0.10   0.04  -0.01     0.30  -0.05  -0.39
    18   1    -0.28  -0.05  -0.18    -0.29  -0.05  -0.20     0.23   0.10   0.09
    19   1    -0.25  -0.05  -0.19    -0.30  -0.06  -0.22    -0.10  -0.15  -0.05
    20   1     0.18   0.33  -0.03     0.15   0.28  -0.03     0.06   0.02   0.02
    21   1     0.14   0.31  -0.03     0.13   0.28  -0.02     0.00   0.04  -0.05
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1121.5264              1131.0435              1170.6962
 Red. masses --      1.8731                 2.1068                 1.7698
 Frc consts  --      1.3881                 1.5879                 1.4291
 IR Inten    --      1.0555                 0.5233                 3.5380
 RamAct Fr= 1--      0.5190                 3.3077                 0.9698
  Dep-P Fr= 1--      0.7500                 0.7491                 0.7500
  Dep-U Fr= 1--      0.8571                 0.8565                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0001                 0.0000
 Beta2  Fr= 1--      0.0741                 0.4722                 0.1385
 AlphaG Fr= 1--      0.0000                -0.0087                 0.0000
 Gamma2 Fr= 1--     -1.6643                -0.2494                -0.3492
 Delta2 Fr= 1--     -0.8655                 0.5321                 1.1992
 Raman1 Fr= 1--       2.076                 13.231                  3.879
 ROA1   Fr= 1--    -187.467                 -6.919                  4.852
 CID1   Fr= 1--     -90.309                 -0.523                  1.251
 Raman2 Fr= 1--       0.890                  5.666                  1.662
 ROA2   Fr= 1--     -33.019                -10.243                -17.974
 CID2   Fr= 1--     -37.114                 -1.808                -10.812
 Raman3 Fr= 1--       1.779                 11.333                  3.325
 ROA3   Fr= 1--    -187.467                 -6.919                  4.852
 CID3   Fr= 1--    -105.361                 -0.611                  1.459
 RC180  Fr= 1--       0.714                  0.713                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.03   0.02    -0.02  -0.02  -0.05    -0.03  -0.04   0.06
     2   6    -0.02  -0.10  -0.12     0.08   0.14   0.09     0.09   0.06  -0.06
     3   6     0.08  -0.00   0.08    -0.00  -0.11  -0.00    -0.02  -0.00  -0.09
     4   6     0.01  -0.01   0.03    -0.06  -0.01  -0.03    -0.07  -0.04   0.05
     5   6    -0.03   0.06   0.04    -0.00  -0.06  -0.01     0.01   0.01   0.00
     6   6    -0.02  -0.03   0.02     0.02  -0.02   0.05    -0.03   0.04   0.06
     7   6    -0.02   0.10  -0.12    -0.08   0.14  -0.09     0.09  -0.06  -0.06
     8   6    -0.03  -0.06   0.04     0.00  -0.06   0.01     0.01  -0.01   0.00
     9   6     0.01   0.01   0.03     0.06  -0.01   0.03    -0.07   0.04   0.05
    10   1    -0.30   0.14  -0.03     0.42  -0.21   0.09     0.16  -0.11   0.01
    11   1     0.45  -0.26  -0.01    -0.29   0.27  -0.06    -0.08  -0.01   0.07
    12   1     0.08  -0.09   0.02     0.06  -0.08  -0.02     0.19   0.11   0.10
    13   1    -0.02  -0.01  -0.06    -0.13   0.12  -0.05    -0.16  -0.05  -0.25
    14   1     0.11  -0.03   0.03     0.07  -0.08   0.02     0.29  -0.04   0.20
    15   1    -0.12   0.18  -0.04     0.09   0.02   0.03    -0.30   0.09  -0.22
    16   1     0.45   0.26  -0.01     0.28   0.26   0.06    -0.08   0.02   0.07
    17   1    -0.30  -0.14  -0.03    -0.42  -0.21  -0.09     0.16   0.11   0.01
    18   1     0.11   0.03   0.03    -0.07  -0.08  -0.02     0.29   0.04   0.20
    19   1    -0.12  -0.18  -0.04    -0.09   0.02  -0.03    -0.30  -0.09  -0.22
    20   1     0.08   0.09   0.02    -0.06  -0.08   0.02     0.19  -0.11   0.10
    21   1    -0.02   0.01  -0.06     0.13   0.12   0.05    -0.16   0.05  -0.25
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1178.5041              1178.5411              1188.2199
 Red. masses --      1.3389                 1.5148                 2.0825
 Frc consts  --      1.0956                 1.2396                 1.7324
 IR Inten    --      0.3003                 1.2186                 1.9474
 RamAct Fr= 1--      0.9446                 0.0574                 1.3405
  Dep-P Fr= 1--      0.6166                 0.7037                 0.2984
  Dep-U Fr= 1--      0.7628                 0.8261                 0.4597
 Alpha2 Fr= 1--      0.0023                 0.0000                 0.0138
 Beta2  Fr= 1--      0.1201                 0.0079                 0.1027
 AlphaG Fr= 1--      0.0032                 0.0001                -0.0367
 Gamma2 Fr= 1--     -0.5280                 0.2958                 0.2085
 Delta2 Fr= 1--     -0.2404                -0.0198                -0.0228
 Raman1 Fr= 1--       3.778                  0.230                  5.362
 ROA1   Fr= 1--     -58.377                 27.762                 19.286
 CID1   Fr= 1--     -15.450                120.901                  3.597
 Raman2 Fr= 1--       1.441                  0.095                  1.232
 ROA2   Fr= 1--     -10.748                  7.257                  5.187
 CID2   Fr= 1--      -7.458                 76.513                  4.208
 Raman3 Fr= 1--       2.882                  0.190                  2.465
 ROA3   Fr= 1--     -58.377                 27.762                 19.286
 CID3   Fr= 1--     -20.253                146.355                  7.824
 RC180  Fr= 1--       0.526                  0.652                 -0.081
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.01  -0.02    -0.01  -0.01   0.04    -0.01  -0.07   0.05
     2   6    -0.03  -0.00   0.04     0.05   0.03  -0.03     0.10   0.05  -0.13
     3   6     0.00  -0.01   0.01    -0.03  -0.00  -0.07     0.00   0.10  -0.00
     4   6    -0.04  -0.02   0.05     0.02   0.01  -0.04    -0.05  -0.04   0.06
     5   6     0.06   0.03  -0.08    -0.05  -0.03   0.07    -0.01   0.00   0.02
     6   6     0.00   0.00   0.01    -0.01   0.02   0.05     0.01  -0.07  -0.05
     7   6     0.01   0.00  -0.03     0.06  -0.03  -0.05    -0.10   0.05   0.13
     8   6    -0.05   0.02   0.06    -0.06   0.03   0.09     0.01   0.00  -0.02
     9   6     0.04  -0.02  -0.04     0.03  -0.01  -0.05     0.05  -0.04  -0.06
    10   1     0.03  -0.01   0.02     0.08  -0.04  -0.03    -0.12  -0.03   0.10
    11   1    -0.04   0.05  -0.03    -0.06  -0.03   0.06     0.11   0.01  -0.00
    12   1    -0.03   0.39   0.11     0.06  -0.29  -0.07     0.27  -0.03   0.10
    13   1     0.07  -0.37  -0.16    -0.09   0.29   0.08    -0.21   0.10  -0.22
    14   1     0.14   0.18   0.29    -0.04  -0.17  -0.18     0.28  -0.12   0.12
    15   1    -0.19  -0.25  -0.18     0.10   0.23   0.10    -0.26   0.16  -0.18
    16   1     0.06   0.04   0.01    -0.05   0.05   0.07    -0.11   0.01   0.00
    17   1    -0.05  -0.02  -0.01     0.07   0.04  -0.03     0.12  -0.03  -0.10
    18   1    -0.12   0.13  -0.23    -0.07   0.21  -0.26    -0.28  -0.12  -0.12
    19   1     0.16  -0.18   0.14     0.15  -0.29   0.15     0.26   0.16   0.18
    20   1     0.02   0.30  -0.09     0.06   0.39  -0.10    -0.27  -0.03  -0.10
    21   1    -0.05  -0.28   0.13    -0.11  -0.39   0.12     0.21   0.10   0.22
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1249.0794              1424.4106              1453.8704
 Red. masses --      4.4486                 1.4867                 1.1026
 Frc consts  --      4.0894                 1.7772                 1.3732
 IR Inten    --      1.2360                 0.3157                 0.9698
 RamAct Fr= 1--      2.5303                12.8784                14.2231
  Dep-P Fr= 1--      0.7500                 0.3171                 0.7500
  Dep-U Fr= 1--      0.8571                 0.4816                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.1254                 0.0000
 Beta2  Fr= 1--      0.3615                 1.0336                 2.0319
 AlphaG Fr= 1--      0.0000                 0.0505                -0.0000
 Gamma2 Fr= 1--      2.1484                 6.3189                -6.8958
 Delta2 Fr= 1--      1.5897                 1.4220                -2.4210
 Raman1 Fr= 1--      10.121                 51.513                 56.892
 ROA1   Fr= 1--     257.121                652.121               -739.464
 CID1   Fr= 1--      25.404                 12.659                -12.998
 Raman2 Fr= 1--       4.338                 12.403                 24.382
 ROA2   Fr= 1--      38.845                140.278               -146.131
 CID2   Fr= 1--       8.955                 11.310                 -5.993
 Raman3 Fr= 1--       8.675                 24.807                 48.765
 ROA3   Fr= 1--     257.121                652.121               -739.464
 CID3   Fr= 1--      29.638                 26.288                -15.164
 RC180  Fr= 1--       0.714                 -0.037                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.08   0.00   0.05     0.02  -0.00  -0.00     0.00   0.03  -0.04
     2   6     0.07  -0.15   0.14    -0.10   0.09  -0.05    -0.02   0.02  -0.01
     3   6     0.27   0.00  -0.24    -0.00  -0.03   0.00     0.04   0.00  -0.02
     4   6    -0.08  -0.03  -0.11     0.01  -0.00   0.01    -0.00  -0.00  -0.00
     5   6    -0.00   0.13   0.03     0.01  -0.02  -0.00     0.00   0.01   0.01
     6   6    -0.08  -0.00   0.05    -0.02  -0.00   0.00     0.00  -0.03  -0.04
     7   6     0.07   0.15   0.14     0.10   0.09   0.05    -0.02  -0.02  -0.01
     8   6    -0.00  -0.13   0.03    -0.01  -0.02   0.00     0.00  -0.01   0.01
     9   6    -0.08   0.03  -0.11    -0.01  -0.00  -0.01    -0.00   0.00  -0.00
    10   1    -0.03  -0.03   0.09     0.03  -0.05   0.29     0.05  -0.06   0.46
    11   1    -0.12  -0.07   0.09    -0.09  -0.27   0.11    -0.14  -0.42   0.14
    12   1    -0.31  -0.03  -0.15     0.25   0.11   0.07     0.08   0.03   0.02
    13   1    -0.06  -0.11  -0.14     0.09   0.02   0.26     0.02   0.01   0.08
    14   1    -0.15   0.27   0.12     0.10  -0.18  -0.17     0.05  -0.08  -0.10
    15   1     0.07   0.17   0.09    -0.05  -0.26   0.01    -0.04  -0.13   0.01
    16   1    -0.12   0.07   0.09     0.09  -0.27  -0.11    -0.14   0.42   0.14
    17   1    -0.03   0.03   0.09    -0.03  -0.05  -0.29     0.05   0.06   0.46
    18   1    -0.15  -0.27   0.12    -0.10  -0.18   0.17     0.05   0.08  -0.10
    19   1     0.07  -0.17   0.09     0.05  -0.26  -0.01    -0.04   0.13   0.01
    20   1    -0.31   0.03  -0.15    -0.25   0.11  -0.07     0.08  -0.03   0.02
    21   1    -0.06   0.11  -0.14    -0.09   0.02  -0.26     0.02  -0.01   0.08
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1466.5217              1467.0641              1480.7037
 Red. masses --      1.0899                 1.0894                 1.1590
 Frc consts  --      1.3811                 1.3815                 1.4972
 IR Inten    --      1.5572                 1.7148                 0.0285
 RamAct Fr= 1--      3.1063                18.6623                 5.4252
  Dep-P Fr= 1--      0.7500                 0.7462                 0.4464
  Dep-U Fr= 1--      0.8571                 0.8547                 0.6173
 Alpha2 Fr= 1--      0.0000                 0.0012                 0.0337
 Beta2  Fr= 1--      0.4438                 2.6583                 0.5581
 AlphaG Fr= 1--      0.0000                 0.0230                -0.0518
 Gamma2 Fr= 1--      1.9818                -0.1751                -0.5465
 Delta2 Fr= 1--     -0.3757                 2.2925                -0.2369
 Raman1 Fr= 1--      12.425                 74.649                 21.701
 ROA1   Fr= 1--     178.231                 56.546                -60.040
 CID1   Fr= 1--      14.344                  0.757                 -2.767
 Raman2 Fr= 1--       5.325                 31.900                  6.698
 ROA2   Fr= 1--      50.569                -22.543                -11.220
 CID2   Fr= 1--       9.496                 -0.707                 -1.675
 Raman3 Fr= 1--      10.650                 63.800                 13.395
 ROA3   Fr= 1--     178.231                 56.546                -60.040
 CID3   Fr= 1--      16.735                  0.886                 -4.482
 RC180  Fr= 1--       0.714                  0.709                  0.235
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.01  -0.04   0.05
     2   6    -0.00  -0.00  -0.01    -0.00  -0.01  -0.01    -0.03   0.02  -0.00
     3   6     0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00  -0.02   0.00
     4   6    -0.03  -0.02  -0.03    -0.03  -0.02  -0.03    -0.01  -0.00  -0.01
     5   6    -0.00  -0.04  -0.02    -0.00  -0.04  -0.02    -0.00   0.01   0.00
     6   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.01  -0.04  -0.05
     7   6    -0.00   0.00  -0.01     0.00  -0.01   0.01     0.03   0.02   0.00
     8   6    -0.00   0.04  -0.02     0.00  -0.04   0.02     0.00   0.01  -0.00
     9   6    -0.03   0.02  -0.03     0.03  -0.02   0.03     0.01  -0.00   0.01
    10   1    -0.00  -0.00   0.03    -0.01   0.00   0.01    -0.03   0.03  -0.43
    11   1    -0.00  -0.03   0.01     0.00  -0.02   0.00     0.13   0.39  -0.11
    12   1     0.32   0.17   0.05     0.30   0.16   0.05     0.17   0.08   0.03
    13   1     0.08   0.02   0.35     0.07   0.02   0.33     0.06  -0.01   0.19
    14   1    -0.12   0.19   0.25    -0.14   0.20   0.27     0.07  -0.09  -0.11
    15   1     0.10   0.32  -0.03     0.10   0.35  -0.04    -0.03  -0.16   0.03
    16   1    -0.00   0.03   0.01    -0.00  -0.02  -0.00    -0.13   0.39   0.11
    17   1    -0.00   0.00   0.04     0.01   0.00  -0.01     0.03   0.03   0.43
    18   1    -0.13  -0.19   0.26     0.14   0.20  -0.27    -0.07  -0.09   0.11
    19   1     0.10  -0.32  -0.03    -0.10   0.34   0.04     0.03  -0.16  -0.03
    20   1     0.32  -0.17   0.05    -0.30   0.16  -0.04    -0.17   0.08  -0.03
    21   1     0.08  -0.02   0.36    -0.07   0.02  -0.33    -0.06  -0.01  -0.19
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1492.7743              1536.1198              1653.5693
 Red. masses --      1.2224                 2.6872                 9.3190
 Frc consts  --      1.6050                 3.7360                15.0129
 IR Inten    --      0.7508                 0.0817                 0.3581
 RamAct Fr= 1--      0.3639                 5.2278                 2.8713
  Dep-P Fr= 1--      0.7500                 0.2175                 0.7500
  Dep-U Fr= 1--      0.8571                 0.3572                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0678                 0.0000
 Beta2  Fr= 1--      0.0520                 0.3113                 0.4102
 AlphaG Fr= 1--      0.0000                -0.0749                -0.0000
 Gamma2 Fr= 1--     -0.0261                 0.5112                -0.3143
 Delta2 Fr= 1--     -0.0172                -0.1758                 1.8322
 Raman1 Fr= 1--       1.456                 20.911                 11.485
 ROA1   Fr= 1--      -3.055                 43.454                 28.457
 CID1   Fr= 1--      -2.099                  2.078                  2.478
 Raman2 Fr= 1--       0.624                  3.735                  4.922
 ROA2   Fr= 1--      -0.489                 13.676                -22.202
 CID2   Fr= 1--      -0.784                  3.662                 -4.510
 Raman3 Fr= 1--       1.248                  7.470                  9.845
 ROA3   Fr= 1--      -3.055                 43.454                 28.457
 CID3   Fr= 1--      -2.448                  5.817                  2.891
 RC180  Fr= 1--       0.714                 -0.286                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.02  -0.03     0.00  -0.05   0.05    -0.03  -0.12   0.15
     2   6     0.00   0.01  -0.01    -0.15   0.12  -0.06    -0.33   0.23  -0.08
     3   6    -0.05  -0.00   0.02    -0.00  -0.03   0.00     0.48   0.00  -0.21
     4   6     0.04   0.01   0.04     0.09   0.02   0.08     0.09   0.02   0.08
     5   6     0.01  -0.06  -0.02     0.02  -0.11  -0.04     0.03  -0.11  -0.04
     6   6     0.01  -0.02  -0.03    -0.00  -0.05  -0.05    -0.03   0.12   0.15
     7   6     0.00  -0.01  -0.01     0.15   0.12   0.06    -0.33  -0.23  -0.08
     8   6     0.01   0.06  -0.02    -0.02  -0.11   0.04     0.03   0.11  -0.04
     9   6     0.04  -0.01   0.04    -0.09   0.02  -0.08     0.09  -0.02   0.08
    10   1     0.04  -0.01   0.16     0.00  -0.03  -0.14    -0.07  -0.08  -0.14
    11   1    -0.04  -0.15   0.04     0.07   0.12  -0.01     0.07   0.16   0.06
    12   1    -0.29  -0.14  -0.03    -0.27  -0.14   0.01    -0.09  -0.07   0.05
    13   1    -0.07  -0.00  -0.32    -0.01  -0.00  -0.31     0.06  -0.01  -0.10
    14   1    -0.14   0.18   0.25    -0.14   0.13   0.25    -0.06   0.00   0.11
    15   1     0.09   0.32  -0.05     0.12   0.28  -0.07     0.09   0.06  -0.04
    16   1    -0.04   0.15   0.04    -0.07   0.12   0.01     0.07  -0.16   0.06
    17   1     0.04   0.01   0.16    -0.00  -0.03   0.14    -0.07   0.08  -0.14
    18   1    -0.14  -0.18   0.25     0.14   0.13  -0.25    -0.06  -0.00   0.11
    19   1     0.09  -0.32  -0.05    -0.12   0.28   0.07     0.09  -0.06  -0.04
    20   1    -0.29   0.14  -0.03     0.27  -0.14  -0.01    -0.09   0.07   0.05
    21   1    -0.07   0.00  -0.32     0.01  -0.00   0.31     0.06   0.01  -0.10
                     46                     47                     48
                      A                      A                      A
 Frequencies --   3099.5500              3099.6413              3115.5248
 Red. masses --      1.0520                 1.0517                 1.0498
 Frc consts  --      5.9550                 5.9532                 6.0039
 IR Inten    --     32.9646                19.6260                35.9282
 RamAct Fr= 1--     28.4492               340.7742                25.8247
  Dep-P Fr= 1--      0.7408                 0.0311                 0.7480
  Dep-U Fr= 1--      0.8511                 0.0604                 0.8559
 Alpha2 Fr= 1--      0.0044                 7.0395                 0.0009
 Beta2  Fr= 1--      4.0356                 3.4281                 3.6838
 AlphaG Fr= 1--     -0.0006                -0.9416                 0.0007
 Gamma2 Fr= 1--    -28.0177                24.6579               -14.2897
 Delta2 Fr= 1--      2.1914                 6.4824               -14.0369
 Raman1 Fr= 1--     113.797               1363.097                103.299
 ROA1   Fr= 1--   -2619.571               2574.594              -1820.997
 CID1   Fr= 1--     -23.020                  1.889                -17.628
 Raman2 Fr= 1--      48.427                 41.137                 44.205
 ROA2   Fr= 1--    -689.956                539.930               -230.658
 CID2   Fr= 1--     -14.247                 13.125                 -5.218
 Raman3 Fr= 1--      96.854                 82.274                 88.410
 ROA3   Fr= 1--   -2619.571               2574.594              -1820.997
 CID3   Fr= 1--     -27.047                 31.293                -20.597
 RC180  Fr= 1--       0.702                 -0.879                  0.712
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.03  -0.04    -0.01  -0.03   0.04     0.00   0.00  -0.00
     2   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     3   6    -0.00   0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
     4   6     0.00  -0.00   0.00     0.00   0.00   0.00    -0.03  -0.01  -0.03
     5   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.02  -0.01
     6   6     0.00  -0.03  -0.04     0.01  -0.03  -0.04     0.00  -0.00  -0.00
     7   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     8   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.02  -0.01
     9   6     0.00   0.00   0.00    -0.00   0.00  -0.00    -0.02   0.01  -0.03
    10   1    -0.18  -0.46  -0.06     0.18   0.44   0.06    -0.00  -0.00  -0.00
    11   1     0.12   0.15   0.49    -0.12  -0.14  -0.46     0.00   0.00   0.00
    12   1    -0.00   0.00  -0.00     0.00   0.00  -0.01    -0.07  -0.07   0.44
    13   1    -0.00   0.00  -0.00    -0.01  -0.00   0.00     0.37   0.19  -0.12
    14   1    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.12   0.20  -0.11
    15   1     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.14   0.05   0.21
    16   1     0.12  -0.14   0.46     0.12  -0.15   0.49     0.00  -0.00   0.00
    17   1    -0.17   0.44  -0.06    -0.18   0.46  -0.06    -0.00   0.00  -0.00
    18   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.11  -0.19  -0.11
    19   1     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.13  -0.05   0.20
    20   1    -0.00  -0.00  -0.00    -0.00   0.00   0.01    -0.06   0.06   0.42
    21   1    -0.00   0.00  -0.00     0.01  -0.00  -0.00     0.35  -0.18  -0.11
                     49                     50                     51
                      A                      A                      A
 Frequencies --   3115.7149              3117.8851              3119.5406
 Red. masses --      1.0503                 1.0557                 1.0554
 Frc consts  --      6.0075                 6.0468                 6.0511
 IR Inten    --     10.5098                22.2131                24.0314
 RamAct Fr= 1--    188.1921                 1.0412               503.5159
  Dep-P Fr= 1--      0.2486                 0.4997                 0.0163
  Dep-U Fr= 1--      0.3983                 0.6664                 0.0321
 Alpha2 Fr= 1--      2.2390                 0.0051                10.7697
 Beta2  Fr= 1--     12.4913                 0.1156                 2.6970
 AlphaG Fr= 1--      1.1966                 0.0008                 0.8503
 Gamma2 Fr= 1--     21.6298                 2.8568                -9.1122
 Delta2 Fr= 1--      7.0296                 2.4215                 6.6118
 Raman1 Fr= 1--     752.768                  4.165               2014.064
 ROA1   Fr= 1--    2301.406                351.736               -663.190
 CID1   Fr= 1--       3.057                 84.455                 -0.329
 Raman2 Fr= 1--     149.895                  1.388                 32.364
 ROA2   Fr= 1--     462.878                 49.190               -271.586
 CID2   Fr= 1--       3.088                 35.447                 -8.392
 Raman3 Fr= 1--     299.790                  2.775                 64.727
 ROA3   Fr= 1--    2301.406                351.736               -663.190
 CID3   Fr= 1--       7.677                126.732                -10.246
 RC180  Fr= 1--      -0.203                  0.333                 -0.936
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     2   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     3   6     0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
     4   6     0.03   0.01   0.03     0.02   0.01   0.02    -0.01  -0.01  -0.01
     5   6    -0.00   0.01   0.01     0.00  -0.04  -0.02    -0.00   0.04   0.02
     6   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     7   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     8   6     0.00   0.02  -0.01     0.00   0.04  -0.01     0.00   0.04  -0.02
     9   6    -0.03   0.01  -0.03     0.02  -0.01   0.02     0.01  -0.01   0.01
    10   1    -0.00  -0.01  -0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    11   1     0.00   0.00   0.01     0.00   0.00   0.00    -0.00   0.00  -0.00
    12   1     0.07   0.07  -0.44     0.04   0.04  -0.26    -0.03  -0.03   0.19
    13   1    -0.37  -0.19   0.12    -0.21  -0.11   0.07     0.16   0.08  -0.05
    14   1    -0.09  -0.15   0.08     0.20   0.34  -0.19    -0.20  -0.34   0.19
    15   1     0.10  -0.04  -0.16    -0.24   0.08   0.36     0.25  -0.08  -0.38
    16   1    -0.00   0.00  -0.01     0.00  -0.00   0.00     0.00   0.00   0.00
    17   1     0.00  -0.01   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    18   1     0.09  -0.15  -0.09     0.19  -0.33  -0.18     0.21  -0.35  -0.20
    19   1    -0.11  -0.04   0.17    -0.23  -0.08   0.35    -0.26  -0.09   0.39
    20   1    -0.07   0.07   0.47     0.04  -0.04  -0.24     0.03  -0.03  -0.20
    21   1     0.39  -0.21  -0.13    -0.20   0.11   0.07    -0.17   0.09   0.06
                     52                     53                     54
                      A                      A                      A
 Frequencies --   3178.8062              3179.3213              3188.6161
 Red. masses --      1.1177                 1.1167                 1.1189
 Frc consts  --      6.6541                 6.6508                 6.7027
 IR Inten    --     11.5452                 9.6999                 0.1028
 RamAct Fr= 1--    155.4195                34.3007                66.5015
  Dep-P Fr= 1--      0.7315                 0.7500                 0.7500
  Dep-U Fr= 1--      0.8449                 0.8571                 0.8571
 Alpha2 Fr= 1--      0.0493                 0.0000                 0.0000
 Beta2  Fr= 1--     21.8860                 4.9001                 9.5002
 AlphaG Fr= 1--     -0.0678                -0.0000                 0.0000
 Gamma2 Fr= 1--      6.8558               -20.6647                31.7875
 Delta2 Fr= 1--     -5.3307                -1.7490                50.2501
 Raman1 Fr= 1--     621.678                137.203                266.006
 ROA1   Fr= 1--     487.578              -2039.782               4659.606
 CID1   Fr= 1--       0.784                -14.867                 17.517
 Raman2 Fr= 1--     262.632                 58.801                114.003
 ROA2   Fr= 1--     207.185               -481.961                360.901
 CID2   Fr= 1--       0.789                 -8.196                  3.166
 Raman3 Fr= 1--     525.264                117.602                228.005
 ROA3   Fr= 1--     487.578              -2039.782               4659.606
 CID3   Fr= 1--       0.928                -17.345                 20.436
 RC180  Fr= 1--       0.690                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.05  -0.04     0.02   0.05   0.04    -0.00  -0.00  -0.00
     2   6    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
     3   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
     4   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.03   0.02  -0.04
     5   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.03  -0.02   0.04
     6   6     0.02  -0.05   0.04     0.02  -0.05   0.04    -0.00   0.00  -0.00
     7   6     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     8   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.03   0.02   0.03
     9   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.03  -0.02  -0.04
    10   1     0.19   0.47   0.05    -0.19  -0.47  -0.05     0.01   0.03   0.00
    11   1     0.11   0.13   0.45    -0.11  -0.13  -0.45     0.01   0.01   0.03
    12   1     0.00   0.00  -0.01    -0.00  -0.00   0.02    -0.04  -0.05   0.36
    13   1     0.01   0.00  -0.00    -0.02  -0.01   0.01    -0.33  -0.17   0.10
    14   1    -0.01  -0.01   0.00     0.01   0.01  -0.01     0.15   0.27  -0.14
    15   1    -0.01   0.00   0.01     0.01  -0.00  -0.01     0.18  -0.07  -0.28
    16   1    -0.11   0.13  -0.45    -0.11   0.13  -0.45     0.01  -0.01   0.03
    17   1    -0.19   0.47  -0.05    -0.19   0.47  -0.05     0.01  -0.03   0.00
    18   1     0.01  -0.01  -0.00     0.01  -0.01  -0.01     0.15  -0.26  -0.14
    19   1     0.01   0.00  -0.01     0.01   0.00  -0.01     0.18   0.07  -0.27
    20   1    -0.00   0.00   0.01    -0.00   0.00   0.02    -0.04   0.05   0.35
    21   1    -0.01   0.00   0.00    -0.02   0.01   0.01    -0.32   0.16   0.09
                     55                     56                     57
                      A                      A                      A
 Frequencies --   3189.3494              3202.4768              3203.3691
 Red. masses --      1.1190                 1.1163                 1.1163
 Frc consts  --      6.7064                 6.7451                 6.7490
 IR Inten    --      0.0902                35.7568                 4.1702
 RamAct Fr= 1--    115.5201                36.2585               126.4026
  Dep-P Fr= 1--      0.7465                 0.7498                 0.6785
  Dep-U Fr= 1--      0.8548                 0.8570                 0.8085
 Alpha2 Fr= 1--      0.0069                 0.0001                 0.1594
 Beta2  Fr= 1--     16.4587                 5.1789                17.0326
 AlphaG Fr= 1--      0.1706                -0.0003                -0.4998
 Gamma2 Fr= 1--    -19.4472                12.1875               -15.8423
 Delta2 Fr= 1--    -43.0339                 1.4568                -9.3684
 Raman1 Fr= 1--     462.081                145.034                505.610
 ROA1   Fr= 1--   -3244.016               1216.616              -1820.653
 CID1   Fr= 1--      -7.020                  8.388                 -3.601
 Raman2 Fr= 1--     197.504                 62.147                204.391
 ROA2   Fr= 1--    -122.461                280.845               -305.269
 CID2   Fr= 1--      -0.620                  4.519                 -1.494
 Raman3 Fr= 1--     395.008                124.294                408.782
 ROA3   Fr= 1--   -3244.016               1216.616              -1820.653
 CID3   Fr= 1--      -8.213                  9.788                 -4.454
 RC180  Fr= 1--       0.710                  0.714                  0.617
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     2   6     0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     3   6    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
     4   6    -0.03  -0.02   0.04     0.03   0.02  -0.04    -0.03  -0.02   0.03
     5   6     0.03   0.02  -0.03     0.03   0.02  -0.04    -0.03  -0.02   0.04
     6   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     7   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     8   6    -0.03   0.02   0.03     0.03  -0.02  -0.04     0.03  -0.02  -0.04
     9   6     0.03  -0.02  -0.04     0.03  -0.02  -0.03     0.03  -0.02  -0.03
    10   1    -0.00  -0.01  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    11   1    -0.00  -0.00  -0.01     0.00  -0.00   0.00     0.00   0.00   0.00
    12   1     0.05   0.05  -0.36    -0.04  -0.04   0.33     0.04   0.04  -0.29
    13   1     0.33   0.17  -0.10    -0.30  -0.16   0.09     0.27   0.14  -0.08
    14   1    -0.14  -0.25   0.13    -0.17  -0.30   0.15     0.17   0.30  -0.16
    15   1    -0.16   0.06   0.24    -0.20   0.08   0.31     0.19  -0.08  -0.30
    16   1     0.00  -0.00   0.01     0.00   0.00   0.00    -0.00   0.00  -0.00
    17   1     0.00  -0.01   0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
    18   1     0.15  -0.26  -0.14    -0.16   0.28   0.15    -0.18   0.32   0.17
    19   1     0.17   0.06  -0.25    -0.19  -0.08   0.29    -0.21  -0.08   0.32
    20   1    -0.05   0.05   0.38    -0.04   0.04   0.32    -0.04   0.04   0.31
    21   1    -0.35   0.18   0.10    -0.28   0.15   0.08    -0.28   0.15   0.08

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  6 and mass  12.00000
 Atom     9 has atomic number  6 and mass  12.00000
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  1 and mass   1.00783
 Molecular mass:   120.09390 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   570.081161550.720471674.13617
           X            1.00000  -0.00000   0.00147
           Y            0.00000   1.00000   0.00001
           Z           -0.00147  -0.00001   1.00000
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.15193     0.05585     0.05174
 Rotational constants (GHZ):           3.16576     1.16381     1.07801
 Zero-point vibrational energy     476933.7 (Joules/Mol)
                                  113.98989 (Kcal/Mol)
 Warning -- explicit consideration of  10 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:    134.36   182.89   196.74   351.05   375.60
          (Kelvin)            445.58   578.64   612.88   663.73   814.25
                              899.12   951.58  1138.85  1145.25  1239.69
                             1240.27  1261.42  1304.13  1335.80  1343.23
                             1390.30  1431.03  1455.42  1488.19  1519.27
                             1531.78  1545.09  1552.25  1553.06  1589.87
                             1613.63  1627.32  1684.37  1695.60  1695.66
                             1709.58  1797.15  2049.41  2091.80  2110.00
                             2110.78  2130.40  2147.77  2210.13  2379.12
                             4459.56  4459.69  4482.55  4482.82  4485.94
                             4488.32  4573.59  4574.33  4587.71  4588.76
                             4607.65  4608.93
 
 Zero-point correction=                           0.181654 (Hartree/Particle)
 Thermal correction to Energy=                    0.190239
 Thermal correction to Enthalpy=                  0.191183
 Thermal correction to Gibbs Free Energy=         0.148598
 Sum of electronic and zero-point Energies=           -350.002429
 Sum of electronic and thermal Energies=              -349.993845
 Sum of electronic and thermal Enthalpies=            -349.992901
 Sum of electronic and thermal Free Energies=         -350.035486
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  119.377             34.007             89.627
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.264
 Rotational               0.889              2.981             28.783
 Vibrational            117.599             28.046             20.580
 Vibration     1          0.602              1.954              3.588
 Vibration     2          0.611              1.926              2.989
 Vibration     3          0.614              1.917              2.849
 Vibration     4          0.659              1.773              1.774
 Vibration     5          0.669              1.744              1.655
 Vibration     6          0.699              1.655              1.364
 Vibration     7          0.768              1.465              0.955
 Vibration     8          0.788              1.414              0.872
 Vibration     9          0.819              1.336              0.762
 Vibration    10          0.922              1.105              0.512
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.446408D-68        -68.350268       -157.382309
 Total V=0       0.160291D+16         15.204909         35.010597
 Vib (Bot)       0.198162D-81        -81.702980       -188.128064
 Vib (Bot)    1  0.220033D+01          0.342487          0.788606
 Vib (Bot)    2  0.160498D+01          0.205469          0.473109
 Vib (Bot)    3  0.148829D+01          0.172688          0.397630
 Vib (Bot)    4  0.802154D+00         -0.095742         -0.220454
 Vib (Bot)    5  0.743632D+00         -0.128642         -0.296209
 Vib (Bot)    6  0.610686D+00         -0.214182         -0.493173
 Vib (Bot)    7  0.442478D+00         -0.354108         -0.815363
 Vib (Bot)    8  0.410320D+00         -0.386877         -0.890817
 Vib (Bot)    9  0.368302D+00         -0.433796         -0.998851
 Vib (Bot)   10  0.273044D+00         -0.563768         -1.298123
 Vib (V=0)       0.711537D+02          1.852198          4.264843
 Vib (V=0)    1  0.275642D+01          0.440346          1.013933
 Vib (V=0)    2  0.218106D+01          0.338667          0.779809
 Vib (V=0)    3  0.207004D+01          0.315978          0.727566
 Vib (V=0)    4  0.144523D+01          0.159936          0.368265
 Vib (V=0)    5  0.139610D+01          0.144915          0.333680
 Vib (V=0)    6  0.128926D+01          0.110342          0.254071
 Vib (V=0)    7  0.116767D+01          0.067321          0.155013
 Vib (V=0)    8  0.114681D+01          0.059491          0.136984
 Vib (V=0)    9  0.112100D+01          0.049607          0.114225
 Vib (V=0)   10  0.106970D+01          0.029260          0.067374
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.517291D+08          7.713735         17.761532
 Rotational      0.435488D+06          5.638976         12.984222
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000002690   -0.000000025   -0.000003013
      2        6          -0.000010787    0.000002749   -0.000006732
      3        6          -0.000008720   -0.000003790    0.000000425
      4        6           0.000000523   -0.000002350    0.000000264
      5        6          -0.000001810   -0.000008512    0.000004790
      6        6           0.000003730    0.000003953    0.000001422
      7        6           0.000003639   -0.000008569    0.000001357
      8        6          -0.000000251    0.000005298    0.000002184
      9        6          -0.000001978    0.000003708   -0.000001924
     10        1          -0.000000622   -0.000001406   -0.000001763
     11        1          -0.000008655    0.000004148   -0.000000368
     12        1           0.000003258   -0.000001417    0.000001135
     13        1           0.000002002   -0.000001139    0.000000197
     14        1           0.000013019    0.000005065   -0.000000252
     15        1           0.000000226    0.000003159   -0.000000979
     16        1           0.000004670   -0.000000735    0.000000630
     17        1           0.000000490    0.000000261    0.000003792
     18        1           0.000000722   -0.000001659    0.000001403
     19        1          -0.000002399    0.000001534   -0.000000159
     20        1          -0.000000664   -0.000002243   -0.000001158
     21        1           0.000000917    0.000001972   -0.000001250
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000013019 RMS     0.000003867
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.124495D+03 -0.309145D-03  0.152344D+01
      2  -0.309145D-03  0.100260D+03  0.110422D-03
      3   0.152344D+01  0.110422D-03  0.948415D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.867764D+01 -0.388315D-03  0.174024D+01
      2  -0.170777D-02 -0.283789D+01  0.371937D-02
      3   0.275760D+02 -0.521694D-03 -0.371231D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.179419D-01 -0.273259D+02 -0.373805D-02
      2   0.557136D-02 -0.767358D+01 -0.112538D-01
      3   0.123706D-01  0.349994D+02  0.149919D-01
      4  -0.291817D+02 -0.124647D-02 -0.106637D+01
      5  -0.293967D-02  0.217310D+01  0.129170D-01
      6  -0.229479D+01 -0.133376D-01  0.174703D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    63 ND12= 1 LenFil=    2271:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.403857D+01  0.341038D+01 -0.584458D+01 -0.125020D+01 -0.362353D+01
      2   0.341038D+01 -0.468139D+01  0.103341D+01 -0.362353D+01 -0.281112D+01
      3  -0.584458D+01  0.103341D+01  0.303560D+01  0.215130D+01 -0.133914D+01
                 6             7             8             9            10 
      1   0.215130D+01 -0.225665D+01 -0.124098D+01  0.195211D+01 -0.712908D-01
      2  -0.133914D+01 -0.124098D+01 -0.284663D+01  0.244672D+01  0.867532D+00
      3   0.350736D+01  0.195211D+01  0.244672D+01  0.304236D+01 -0.155218D+01
                11            12            13            14            15 
      1   0.867532D+00 -0.155218D+01  0.295319D+01 -0.987513D+00 -0.322320D+01
      2   0.161907D+00  0.534518D+00 -0.987513D+00  0.121472D+01  0.141642D+01
      3   0.534518D+00 -0.420137D-01 -0.322320D+01  0.141642D+01 -0.151063D+01
                16            17            18            19            20 
      1  -0.598727D+01 -0.120371D+01  0.161778D+01 -0.131445D-02 -0.748055D+00
      2  -0.120371D+01  0.315889D+01 -0.116960D+01 -0.748055D+00 -0.202982D-04
      3   0.161778D+01 -0.116960D+01 -0.322030D-01 -0.472646D-04  0.155400D+00
                21            22            23            24            25 
      1  -0.472646D-04  0.199037D+01 -0.199992D-02  0.376675D+01  0.896305D-03
      2   0.155400D+00 -0.199992D-02  0.100409D+01  0.873275D-04  0.560407D+01
      3   0.146326D-03  0.376675D+01  0.873275D-04 -0.232733D+01  0.226063D-02
                26            27            28            29            30 
      1   0.560407D+01  0.226063D-02  0.396279D+00 -0.379411D+01  0.319087D+01
      2   0.393682D-03 -0.114606D+01 -0.379411D+01 -0.280989D+00 -0.396386D+00
      3  -0.114606D+01 -0.140817D-02  0.319087D+01 -0.396386D+00  0.226159D+01
                31            32            33            34            35 
      1  -0.664294D+01  0.256477D+01 -0.244154D+00  0.470818D+01  0.152911D+01
      2   0.256477D+01  0.227390D+01  0.333401D+01  0.152911D+01  0.211319D+01
      3  -0.244154D+00  0.333401D+01  0.261197D+01  0.619180D+00  0.175950D+01
                36            37            38            39            40 
      1   0.619180D+00  0.159052D+01 -0.307821D+01  0.869726D+00 -0.237487D+01
      2   0.175950D+01 -0.307821D+01  0.331997D+01 -0.359773D+01  0.262051D+01
      3  -0.351252D+01  0.869726D+00 -0.359773D+01 -0.368075D+01 -0.114345D+01
                41            42            43            44            45 
      1   0.262051D+01 -0.114345D+01  0.288315D+01 -0.458251D+01 -0.302978D+01
      2  -0.193630D+01 -0.239398D+01 -0.458251D+01 -0.233901D+01  0.474698D-01
      3  -0.239398D+01 -0.530400D+00 -0.302978D+01  0.474698D-01  0.702039D+00
                46            47            48            49            50 
      1  -0.403776D+01  0.340757D+01  0.584418D+01 -0.125045D+01  0.362418D+01
      2   0.340757D+01  0.468075D+01  0.103486D+01  0.362418D+01 -0.281235D+01
      3   0.584418D+01  0.103486D+01 -0.303785D+01  0.215326D+01  0.133618D+01
                51            52            53            54            55 
      1   0.215326D+01  0.225484D+01 -0.124010D+01 -0.195481D+01  0.775141D-01
      2   0.133618D+01 -0.124010D+01  0.284359D+01  0.244786D+01  0.867680D+00
      3   0.350729D+01 -0.195481D+01  0.244786D+01 -0.303845D+01  0.155267D+01
                56            57            58            59            60 
      1   0.867680D+00  0.155267D+01  0.295133D+01  0.988931D+00 -0.322243D+01
      2  -0.162581D+00  0.534151D+00  0.988931D+00  0.121765D+01 -0.141467D+01
      3   0.534151D+00  0.422445D-01 -0.322243D+01 -0.141467D+01 -0.151058D+01
                61            62            63            64            65 
      1   0.598810D+01 -0.120355D+01 -0.162007D+01 -0.159253D+01 -0.308201D+01
      2  -0.120355D+01 -0.315742D+01 -0.117130D+01 -0.308201D+01 -0.331597D+01
      3  -0.162007D+01 -0.117130D+01  0.309530D-01 -0.868880D+00 -0.359942D+01
                66            67            68            69            70 
      1  -0.868880D+00 -0.237646D+01 -0.261715D+01 -0.114495D+01 -0.288229D+01
      2  -0.359942D+01 -0.261715D+01 -0.193851D+01  0.239496D+01 -0.458329D+01
      3   0.367757D+01 -0.114495D+01  0.239496D+01 -0.527289D+00  0.302764D+01
                71            72            73            74            75 
      1  -0.458329D+01  0.302764D+01 -0.403493D+00 -0.379298D+01 -0.319339D+01
      2   0.234022D+01  0.521883D-01 -0.379298D+01  0.281778D+00 -0.393890D+00
      3   0.521883D-01 -0.706153D+00 -0.319339D+01 -0.393890D+00 -0.225823D+01
                76            77            78            79            80 
      1  -0.664112D+01 -0.256545D+01 -0.242492D+00 -0.471089D+01  0.153095D+01
      2  -0.256545D+01  0.227702D+01 -0.333411D+01  0.153095D+01 -0.211375D+01
      3  -0.242492D+00 -0.333411D+01  0.260837D+01 -0.614344D+00  0.175648D+01
                81            82            83            84            85 
      1  -0.614344D+00  0.167169D+01  0.158956D+01 -0.176099D+00  0.308205D+01
      2   0.175648D+01  0.158956D+01  0.345959D+01 -0.904565D+00  0.319541D+01
      3   0.351698D+01 -0.176099D+00 -0.904565D+00  0.354967D+00 -0.102781D+01
                86            87            88            89            90 
      1   0.319541D+01 -0.102781D+01  0.113201D+01 -0.186525D-01  0.224071D+00
      2   0.997479D+01 -0.222026D+01 -0.186525D-01  0.511080D+00  0.118141D+01
      3  -0.222026D+01  0.181301D+01  0.224071D+00  0.118141D+01 -0.124069D+01
                91            92            93            94            95 
      1  -0.969477D+00 -0.811253D-01 -0.243811D+00 -0.104166D+01  0.588396D+00
      2  -0.811253D-01  0.229625D+00  0.375075D-01  0.588396D+00  0.472366D+00
      3  -0.243811D+00  0.375075D-01 -0.178867D+01 -0.304089D+00 -0.115550D+01
                96            97            98            99           100 
      1  -0.304089D+00 -0.171767D+01  0.618327D-01 -0.210033D+00  0.916914D+00
      2  -0.115550D+01  0.618327D-01 -0.157328D+01  0.113480D+01  0.636611D+00
      3  -0.195558D+01 -0.210033D+00  0.113480D+01 -0.105470D+02  0.767742D+00
               101           102           103           104           105 
      1   0.636611D+00  0.767742D+00  0.658612D+00  0.323443D+00  0.202186D+00
      2  -0.247481D+00  0.289545D+00  0.323443D+00 -0.592099D+00  0.594315D+00
      3   0.289545D+00 -0.477279D+00  0.202186D+00  0.594315D+00 -0.105740D+01
               106           107           108           109           110 
      1   0.260817D+01 -0.342495D+00  0.288911D+01  0.111964D+02  0.294740D+01
      2  -0.342495D+00  0.117269D+01 -0.802736D+00  0.294740D+01  0.181647D+01
      3   0.288911D+01 -0.802736D+00  0.966330D+01  0.573748D+00  0.211182D+00
               111           112           113           114           115 
      1   0.573748D+00  0.547878D+01  0.197291D+01  0.255191D+00 -0.222174D+01
      2   0.211182D+00  0.197291D+01  0.137550D+01 -0.185929D+00 -0.399560D+00
      3   0.108809D+01  0.255191D+00 -0.185929D+00  0.627975D+00  0.145200D+01
               116           117           118           119           120 
      1  -0.399560D+00  0.145200D+01 -0.116687D+01 -0.508066D+00  0.588750D-01
      2  -0.935796D+00  0.239895D+00 -0.508066D+00 -0.296473D+01  0.100352D+01
      3   0.239895D+00  0.495585D+00  0.588750D-01  0.100352D+01 -0.308271D+00
               121           122           123           124           125 
      1  -0.125136D+01 -0.354777D+00  0.409524D+00  0.760433D+00  0.771208D+00
      2  -0.354777D+00 -0.789951D+01  0.110057D+01  0.771208D+00  0.240653D+01
      3   0.409524D+00  0.110057D+01 -0.127466D+01  0.343955D+00 -0.154062D+01
               126           127           128           129           130 
      1   0.343955D+00  0.348684D+01 -0.161475D+01 -0.228947D+01 -0.605989D+00
      2  -0.154062D+01 -0.161475D+01  0.136955D+01  0.171113D+01  0.125652D+01
      3   0.900991D+00 -0.228947D+01  0.171113D+01  0.285755D+01  0.104057D+01
               131           132           133           134           135 
      1   0.125652D+01  0.104057D+01 -0.433435D+01  0.262337D+01  0.361351D+01
      2  -0.257391D+01 -0.145329D+01  0.262337D+01 -0.276389D+01 -0.272347D+01
      3  -0.145329D+01 -0.106810D+01  0.361351D+01 -0.272347D+01 -0.533711D+01
               136           137           138           139           140 
      1   0.970777D+00 -0.810847D-01  0.243936D+00 -0.104209D+01 -0.588127D+00
      2  -0.810847D-01 -0.229163D+00  0.374272D-01 -0.588127D+00  0.471622D+00
      3   0.243936D+00  0.374272D-01  0.179089D+01 -0.304600D+00  0.115591D+01
               141           142           143           144           145 
      1  -0.304600D+00  0.171743D+01  0.619242D-01  0.212235D+00 -0.167227D+01
      2   0.115591D+01  0.619242D-01  0.157284D+01  0.113302D+01  0.158954D+01
      3  -0.195649D+01  0.212235D+00  0.113302D+01  0.105454D+02  0.176694D+00
               146           147           148           149           150 
      1   0.158954D+01  0.176694D+00  0.308232D+01 -0.319495D+01 -0.102846D+01
      2  -0.345942D+01 -0.905331D+00 -0.319495D+01  0.997242D+01  0.222180D+01
      3  -0.905331D+00 -0.355379D+00 -0.102846D+01  0.222180D+01  0.181370D+01
               151           152           153           154           155 
      1  -0.113082D+01 -0.192067D-01 -0.224020D+00  0.116534D+01 -0.507056D+00
      2  -0.192067D-01 -0.508727D+00  0.118151D+01 -0.507056D+00  0.296168D+01
      3  -0.224020D+00  0.118151D+01  0.124154D+01 -0.592833D-01  0.100437D+01
               156           157           158           159           160 
      1  -0.592833D-01 -0.125083D+01  0.352747D+00  0.409587D+00 -0.761538D+00
      2   0.100437D+01  0.352747D+00 -0.789877D+01 -0.110381D+01  0.770725D+00
      3   0.308681D+00  0.409587D+00 -0.110381D+01 -0.127569D+01 -0.343774D+00
               161           162           163           164           165 
      1   0.770725D+00 -0.343774D+00 -0.348317D+01 -0.161372D+01  0.228762D+01
      2  -0.241064D+01 -0.154272D+01 -0.161372D+01 -0.136970D+01  0.171115D+01
      3  -0.154272D+01 -0.903175D+00  0.228762D+01  0.171115D+01 -0.285554D+01
               166           167           168           169           170 
      1  -0.606545D+00 -0.125729D+01  0.104108D+01  0.433317D+01  0.262383D+01
      2  -0.125729D+01 -0.257578D+01  0.145376D+01  0.262383D+01  0.276532D+01
      3   0.104108D+01  0.145376D+01 -0.106923D+01 -0.361217D+01 -0.272496D+01
               171           172           173           174           175 
      1  -0.361217D+01 -0.918359D+00  0.636918D+00 -0.768146D+00  0.659575D+00
      2  -0.272496D+01  0.636918D+00  0.246736D+00  0.289084D+00 -0.323803D+00
      3   0.533780D+01 -0.768146D+00  0.289084D+00  0.474439D+00  0.202411D+00
               176           177           178           179           180 
      1  -0.323803D+00  0.202411D+00 -0.260973D+01 -0.342059D+00 -0.289226D+01
      2  -0.591285D+00 -0.593997D+00 -0.342059D+00 -0.117247D+01 -0.799981D+00
      3  -0.593997D+00 -0.105461D+01 -0.289226D+01 -0.799981D+00 -0.966420D+01
               181           182           183           184           185 
      1  -0.111943D+02  0.294797D+01 -0.570194D+00  0.547828D+01 -0.197322D+01
      2   0.294797D+01 -0.181662D+01  0.210070D+00 -0.197322D+01  0.137555D+01
      3  -0.570194D+00  0.210070D+00 -0.108778D+01  0.253773D+00  0.186687D+00
               186           187           188           189 
      1   0.253773D+00  0.222656D+01 -0.400909D+00 -0.145260D+01
      2   0.186687D+00 -0.400909D+00  0.936868D+00  0.240610D+00
      3   0.628298D+00 -0.145260D+01  0.240610D+00 -0.494026D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.437957D+01  0.533945D+01 -0.704971D+01  0.571036D+01  0.905884D+01
      2  -0.204272D+01  0.247971D+01  0.184998D+01  0.468492D+01 -0.786484D+01
      3   0.304283D+00  0.481433D+01 -0.720815D+01  0.637571D+01 -0.277878D+01
                 6             7             8             9            10 
      1  -0.828266D+01 -0.347762D+01  0.429169D+01 -0.103684D+02 -0.265684D+00
      2   0.621057D+01 -0.511565D+01  0.227432D+01  0.680057D+01 -0.144981D+01
      3   0.374016D+01 -0.647523D+01  0.257064D+01  0.947693D+00  0.399924D+01
                11            12            13            14            15 
      1   0.124047D+01  0.290965D+01 -0.246932D+01  0.466870D+00 -0.430073D+01
      2  -0.190703D+00  0.429211D+01 -0.219650D+01  0.246587D+01 -0.598241D+01
      3  -0.832572D+01 -0.928617D-01  0.134954D+02 -0.292231D+01 -0.229350D+01
                16            17            18            19            20 
      1  -0.747472D+01  0.411715D+01  0.530111D+00  0.150364D-02 -0.258515D+01
      2  -0.950160D+01  0.194128D+01  0.261792D+00 -0.350204D+01 -0.766555D-03
      3  -0.733297D+00 -0.691376D+01  0.343352D+01 -0.375109D-03 -0.595386D+01
                21            22            23            24            25 
      1  -0.784237D-04  0.348566D+01 -0.500270D-03 -0.487952D+00 -0.133059D-02
      2   0.635154D+01 -0.716861D-04 -0.723093D+00  0.427745D-03 -0.142383D+02
      3   0.191560D-03  0.144622D+02 -0.317208D-02 -0.233683D+00  0.593307D-03
                26            27            28            29            30 
      1   0.361078D+01  0.223983D-02 -0.402188D+01  0.132079D+01  0.857297D-01
      2  -0.386156D-03  0.610058D+00  0.138001D+02  0.253684D+01  0.915366D+01
      3   0.625744D+01  0.235948D-02  0.105228D+02 -0.273498D+01  0.826877D+00
                31            32            33            34            35 
      1  -0.163008D+01  0.449271D+01  0.820939D+00  0.272259D+01  0.513297D+01
      2   0.475906D+01  0.100526D+02  0.872535D+01 -0.600573D+01  0.433530D+01
      3  -0.345163D+01 -0.945433D+01 -0.996090D+01 -0.333317D+01 -0.921837D+01
                36            37            38            39            40 
      1   0.294534D+01  0.193036D+01 -0.893752D+01 -0.442269D+01 -0.499985D+01
      2  -0.134731D+02 -0.620410D+00 -0.802959D+01 -0.645073D+01 -0.494888D+01
      3  -0.714186D+01  0.847506D+01 -0.883672D+01  0.798159D+01  0.134307D+01
                41            42            43            44            45 
      1  -0.503339D+01 -0.311895D+01 -0.660931D+01  0.650889D+01  0.116837D+01
      2  -0.388457D+01 -0.273842D+01 -0.772851D+01 -0.185890D+01 -0.546951D+00
      3  -0.786095D+00  0.102811D+02  0.956002D+01  0.142964D+02  0.703893D+01
                46            47            48            49            50 
      1  -0.438128D+01  0.533816D+01  0.705507D+01  0.570943D+01 -0.905667D+01
      2  -0.204249D+01 -0.247878D+01  0.185168D+01 -0.468461D+01 -0.786242D+01
      3  -0.304840D+00  0.480929D+01  0.720817D+01  0.637183D+01  0.277679D+01
                51            52            53            54            55 
      1  -0.828603D+01  0.348587D+01  0.428586D+01  0.103622D+02  0.265814D+00
      2  -0.621281D+01 -0.511246D+01 -0.227793D+01  0.679879D+01 -0.145055D+01
      3   0.373919D+01  0.647381D+01  0.256964D+01 -0.950252D+00 -0.399828D+01
                56            57            58            59            60 
      1   0.123976D+01 -0.290987D+01 -0.247119D+01 -0.467471D+00 -0.429984D+01
      2   0.191203D+00  0.429227D+01  0.219598D+01  0.246312D+01  0.598192D+01
      3  -0.832670D+01  0.926310D-01  0.134958D+02  0.292744D+01 -0.228935D+01
                61            62            63            64            65 
      1   0.747443D+01  0.411638D+01 -0.528580D+00 -0.192710D+01 -0.893596D+01
      2  -0.949967D+01 -0.193805D+01  0.263858D+00 -0.620865D+00  0.803533D+01
      3   0.734720D+00 -0.691154D+01 -0.343723D+01 -0.848316D+01 -0.881917D+01
                66            67            68            69            70 
      1   0.441889D+01 -0.499877D+01  0.503510D+01 -0.311231D+01  0.660763D+01
      2  -0.644403D+01  0.495197D+01 -0.389021D+01  0.273106D+01 -0.772380D+01
      3  -0.798958D+01  0.135908D+01  0.773310D+00  0.102884D+02 -0.956398D+01
                71            72            73            74            75 
      1   0.651802D+01 -0.117275D+01  0.401984D+01  0.132006D+01 -0.867857D-01
      2   0.184599D+01 -0.534447D+00  0.138027D+02 -0.254359D+01  0.914096D+01
      3   0.143035D+02 -0.702329D+01 -0.105204D+02 -0.273623D+01 -0.819303D+00
                76            77            78            79            80 
      1  -0.162915D+01 -0.449267D+01  0.818135D+00 -0.272519D+01  0.512990D+01
      2  -0.476271D+01  0.100532D+02 -0.871279D+01 -0.602322D+01 -0.432281D+01
      3  -0.345604D+01  0.946704D+01 -0.996338D+01  0.333681D+01 -0.922024D+01
                81            82            83            84            85 
      1  -0.294226D+01 -0.258112D+01 -0.386672D+01 -0.297099D+00 -0.269756D+01
      2  -0.134842D+02  0.193439D+01  0.955308D+00  0.109435D+01  0.278826D+01
      3   0.713135D+01  0.129900D+01 -0.348432D+01  0.872850D+00  0.464823D+01
                86            87            88            89            90 
      1  -0.114475D+02 -0.227564D+01 -0.434834D+00 -0.145180D+01  0.384757D+00
      2   0.181828D+01  0.152693D+01 -0.214294D+00  0.132222D+01 -0.992416D+00
      3  -0.478595D+01  0.590926D+00  0.144468D+01 -0.156496D+00 -0.710811D+00
                91            92            93            94            95 
      1   0.151844D+01 -0.227775D-02  0.326449D+01 -0.367010D+00  0.139904D+01
      2  -0.279325D+01 -0.322385D+00 -0.980992D+00 -0.203273D+01 -0.729812D+00
      3  -0.760036D+00 -0.465508D+00 -0.335780D+00 -0.452000D+00  0.134283D-01
                96            97            98            99           100 
      1   0.339474D+01  0.328012D+00  0.366242D+01  0.142421D+02  0.107768D+01
      2  -0.297381D+01 -0.636125D+01  0.115407D+01 -0.113969D+02  0.245961D+01
      3   0.392522D+00 -0.247397D+01  0.115871D+01 -0.148770D+01 -0.147481D+01
               101           102           103           104           105 
      1   0.253132D-02  0.407133D+00  0.184126D+00 -0.803325D+00 -0.775452D+00
      2   0.337870D+00 -0.150770D+01 -0.366042D+00  0.171202D+01 -0.352512D+01
      3  -0.172159D+00 -0.124244D+01 -0.347663D+00  0.157843D+01 -0.135486D+01
               106           107           108           109           110 
      1   0.102155D-01  0.426793D+01  0.141773D+01  0.353667D+01  0.184747D+01
      2   0.288738D+01 -0.202128D+01  0.274494D+02 -0.704217D+01 -0.143186D+01
      3   0.786662D+00 -0.387816D+01  0.218027D+01 -0.861733D+01 -0.890655D+01
               111           112           113           114           115 
      1  -0.671161D+00  0.231610D+01  0.124534D+01 -0.108613D+01 -0.484242D+00
      2   0.579619D+01 -0.303324D+01 -0.218823D+01  0.258989D+01  0.488731D+01
      3  -0.810533D+00 -0.340122D+01 -0.434870D+01  0.540477D+00  0.922806D+00
               116           117           118           119           120 
      1   0.384137D+00  0.752699D+00  0.100118D+01  0.290238D+01 -0.179168D+01
      2   0.128308D+01  0.424313D+00  0.672255D+00  0.143713D+01 -0.113793D+00
      3   0.271966D+01 -0.701500D+00  0.568923D+01  0.830226D+01 -0.322437D+01
               121           122           123           124           125 
      1   0.517331D+00  0.460103D+01 -0.523484D+01  0.479898D+00 -0.259653D+01
      2   0.678140D+00  0.188543D+01 -0.201861D+01 -0.204794D+00 -0.302941D+01
      3   0.605005D+01  0.213077D+02 -0.357817D+01 -0.398387D+01 -0.784707D+01
               126           127           128           129           130 
      1   0.263760D+01 -0.357804D+01  0.144587D+01  0.474901D+01  0.131186D+01
      2   0.140847D+01 -0.278441D+01  0.357916D+01  0.740115D+01  0.172318D+01
      3   0.382891D+01 -0.156982D+01 -0.227901D+01 -0.119046D+01 -0.367606D+00
               131           132           133           134           135 
      1  -0.836116D+00 -0.260702D+01  0.457762D+01 -0.105511D+01 -0.814812D+01
      2  -0.290447D+01 -0.269787D+01  0.335243D+01 -0.467702D+01 -0.106238D+02
      3   0.532641D+01  0.214142D+01  0.223833D+00  0.413900D+01  0.153783D+01
               136           137           138           139           140 
      1  -0.151944D+01 -0.374102D-03 -0.326736D+01 -0.365900D+00 -0.140042D+01
      2  -0.279685D+01  0.322461D+00 -0.983387D+00  0.203486D+01 -0.730492D+00
      3   0.761088D+00 -0.465046D+00  0.336110D+00 -0.451823D+00 -0.137818D-01
               141           142           143           144           145 
      1   0.339613D+01 -0.331244D+00  0.366516D+01 -0.142375D+02  0.258110D+01
      2   0.297524D+01 -0.636434D+01 -0.115204D+01 -0.113959D+02  0.193509D+01
      3   0.391889D+00  0.247240D+01  0.115716D+01  0.148808D+01 -0.129943D+01
               146           147           148           149           150 
      1  -0.386712D+01  0.296261D+00 -0.269695D+01  0.114460D+02 -0.227273D+01
      2  -0.954939D+00  0.109412D+01 -0.278924D+01  0.181822D+01 -0.152629D+01
      3  -0.348381D+01 -0.873186D+00  0.464793D+01  0.478295D+01  0.590970D+00
               151           152           153           154           155 
      1   0.433509D+00 -0.144807D+01 -0.385583D+00 -0.100098D+01  0.290064D+01
      2  -0.215629D+00 -0.132143D+01 -0.993285D+00  0.674870D+00 -0.143987D+01
      3  -0.144345D+01 -0.154973D+00  0.710955D+00 -0.568141D+01  0.829229D+01
               156           157           158           159           160 
      1   0.179145D+01  0.516653D+00 -0.460105D+01 -0.523715D+01 -0.480105D+00
      2  -0.115343D+00 -0.680415D+00  0.189376D+01  0.202190D+01 -0.206186D+00
      3   0.322735D+01  0.604363D+01 -0.213026D+02 -0.358701D+01  0.398542D+01
               161           162           163           164           165 
      1  -0.260012D+01 -0.264261D+01  0.357618D+01  0.144725D+01 -0.474691D+01
      2   0.303481D+01  0.141302D+01 -0.278362D+01 -0.358044D+01  0.739736D+01
      3  -0.785731D+01 -0.383527D+01  0.156770D+01 -0.228011D+01  0.119334D+01
               166           167           168           169           170 
      1   0.131290D+01  0.837086D+00 -0.260971D+01 -0.457729D+01 -0.105825D+01
      2  -0.172353D+01 -0.290525D+01  0.270018D+01  0.335112D+01  0.468068D+01
      3  -0.368197D+00 -0.532974D+01  0.214147D+01 -0.222132D+00  0.414063D+01
               171           172           173           174           175 
      1   0.815111D+01 -0.107736D+01  0.433548D-02 -0.407502D+00  0.184223D+00
      2  -0.106268D+02  0.245837D+01 -0.336545D+00 -0.149869D+01  0.366598D+00
      3  -0.154240D+01  0.147638D+01 -0.174689D+00  0.124097D+01 -0.348618D+00
               176           177           178           179           180 
      1   0.801940D+00 -0.774594D+00 -0.103269D-01  0.426813D+01 -0.141514D+01
      2   0.171066D+01  0.351692D+01  0.289729D+01  0.201379D+01  0.274524D+02
      3  -0.157644D+01 -0.135371D+01 -0.787311D+00 -0.387876D+01 -0.217275D+01
               181           182           183           184           185 
      1  -0.353546D+01  0.184593D+01  0.673172D+00  0.231570D+01 -0.124483D+01
      2  -0.704682D+01  0.143450D+01  0.579817D+01  0.303496D+01 -0.218974D+01
      3   0.861528D+01 -0.890658D+01  0.806541D+00 -0.340032D+01  0.434826D+01
               186           187           188           189 
      1  -0.108707D+01  0.486281D+00  0.383461D+00 -0.753308D+00
      2  -0.259225D+01  0.489223D+01 -0.128614D+01  0.418597D+00
      3   0.542599D+00 -0.925348D+00  0.272392D+01  0.703172D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.835049D+01  0.155211D+02 -0.566144D+01  0.670034D+01 -0.224356D+01
      2  -0.190324D+01 -0.192178D+02  0.132954D+02 -0.112490D+02 -0.164191D+02
      3   0.102537D+02  0.369661D+01 -0.763396D+01  0.454867D+01  0.186627D+02
      4   0.673585D+01 -0.568337D+01 -0.400195D+01 -0.903059D+01 -0.179627D+02
      5  -0.160066D+02 -0.250229D+01  0.137676D+02  0.170463D+01  0.302093D+01
      6  -0.168189D+02  0.864638D+01  0.263869D+01  0.100320D+02  0.551513D+00
                 6             7             8             9            10 
      1   0.972634D+01  0.682594D+00  0.628180D+01  0.113464D+02  0.180583D+01
      2   0.801198D+00  0.451308D+01 -0.311968D+01  0.131586D+02 -0.328763D+01
      3  -0.105275D+02 -0.519568D+01 -0.316212D+01 -0.245051D+02  0.148180D+01
      4   0.100803D+01 -0.705225D+01 -0.379253D+01  0.817036D+01  0.509203D+01
      5   0.387896D+01  0.109451D+02  0.581843D+01 -0.274914D+01 -0.146554D+02
      6   0.711333D+01  0.528090D+01  0.762134D+01 -0.394545D+01  0.261390D+01
                11            12            13            14            15 
      1  -0.362231D+00 -0.545063D+01 -0.643328D+00 -0.151500D+01 -0.573520D+01
      2   0.388187D+01  0.239575D+01  0.417096D+01 -0.502961D+00  0.194662D+01
      3  -0.351964D+01  0.305488D+01 -0.352763D+01  0.201796D+01  0.378859D+01
      4  -0.153220D+01  0.460532D+01 -0.703953D+01  0.928979D+01  0.291097D+01
      5   0.642853D+01 -0.809344D+00 -0.128362D+01  0.910536D+00 -0.261395D+01
      6  -0.308217D+01  0.235297D+01 -0.484872D+01  0.243999D+01 -0.509682D-01
                16            17            18            19            20 
      1  -0.116759D+02 -0.351011D+01 -0.415330D+00 -0.764429D+01 -0.171749D-02
      2   0.573935D+01  0.255386D+01 -0.320616D+01  0.925934D+01 -0.968500D-03
      3   0.593651D+01  0.956251D+00  0.362149D+01 -0.161505D+01  0.268599D-02
      4   0.173196D+01  0.635954D+01 -0.236160D+01 -0.467948D-02 -0.135718D+01
      5  -0.257698D-01 -0.163904D+01  0.771816D-01  0.181072D+02  0.155475D-02
      6   0.571473D+01 -0.749343D+00  0.141086D+01  0.358047D-02  0.428054D+01
                21            22            23            24            25 
      1   0.154612D+01 -0.163243D-02 -0.190864D+01  0.270720D-02 -0.405844D+01
      2  -0.441897D+01 -0.219104D-02  0.471736D+01 -0.181083D-02  0.392539D+00
      3   0.287286D+01  0.382347D-02 -0.280872D+01 -0.896371D-03  0.366590D+01
      4   0.243560D-02 -0.296231D+01  0.211145D-02  0.177347D+00  0.600928D-02
      5  -0.109180D+02  0.714044D-02  0.517721D+00  0.831939D-03 -0.180821D+02
      6  -0.158817D-03  0.835853D+01  0.255299D-03 -0.205915D+01  0.111546D-02
                26            27            28            29            30 
      1  -0.148672D-03 -0.451504D+01 -0.124667D+02 -0.203213D+02  0.167783D+02
      2   0.105738D-02  0.237032D+01  0.172330D+01  0.913373D+01 -0.934859D+01
      3  -0.908710D-03  0.214472D+01  0.107434D+02  0.111876D+02 -0.742966D+01
      4   0.109626D+01 -0.658065D-03 -0.271286D+02 -0.208585D+01 -0.418319D+01
      5  -0.865573D-03  0.507189D+01  0.229316D+02 -0.486171D+01  0.142056D+02
      6  -0.134674D+01 -0.149243D-02 -0.624505D+01  0.547867D+00 -0.370873D+01
                31            32            33            34            35 
      1  -0.316931D+02  0.649091D+01 -0.117672D+01  0.289533D+02  0.325956D+01
      2   0.147823D+02 -0.651743D+01 -0.282924D+01 -0.124765D+02 -0.547823D+01
      3   0.169108D+02  0.265156D-01  0.400596D+01 -0.164768D+02  0.221867D+01
      4   0.801016D+01  0.129705D+02  0.160589D+02  0.283707D+01  0.114992D+02
      5  -0.636990D+01  0.181614D+02  0.109314D+02  0.852930D+01  0.758405D+01
      6  -0.451013D+00  0.301622D+01  0.160023D+01 -0.242019D+01  0.172623D+01
                36            37            38            39            40 
      1   0.181036D+02 -0.267441D+00 -0.557684D+01 -0.614902D+01 -0.426129D+01
      2   0.295903D+01  0.802064D+01 -0.885817D+01  0.437801D+01 -0.781547D+01
      3  -0.210627D+02 -0.775320D+01  0.144350D+02  0.177101D+01  0.120768D+02
      4   0.619779D+01 -0.110049D+02  0.143172D+02 -0.137898D+02  0.161303D+02
      5  -0.153970D+02  0.777048D+01 -0.159419D+02 -0.173891D+02 -0.759017D+01
      6   0.384638D+01 -0.246344D+00  0.895374D+01  0.101025D+02  0.593338D+01
                41            42            43            44            45 
      1   0.122426D+02 -0.110038D+02  0.578311D+00 -0.217183D+02 -0.128006D+02
      2  -0.504732D+01  0.128574D+02  0.163194D+01  0.177897D+02  0.913499D+01
      3  -0.719531D+01 -0.185356D+01 -0.221025D+01  0.392860D+01  0.366565D+01
      4  -0.199804D+02 -0.360334D+01 -0.192681D+02 -0.200371D+01  0.592605D+01
      5  -0.714560D+01  0.305750D+00 -0.154543D+02  0.291985D+01  0.810490D+01
      6   0.568323D+01 -0.205537D+01  0.122902D+02 -0.468288D+01 -0.339899D+01
                46            47            48            49            50 
      1  -0.835207D+01 -0.155161D+02 -0.565540D+01 -0.670314D+01 -0.223856D+01
      2  -0.191078D+01  0.192108D+02  0.133037D+02  0.112438D+02 -0.164163D+02
      3   0.102628D+02 -0.369466D+01 -0.764825D+01 -0.454071D+01  0.186548D+02
      4  -0.672222D+01 -0.568567D+01  0.399554D+01 -0.903241D+01  0.179614D+02
      5  -0.160036D+02  0.249552D+01  0.137693D+02 -0.171554D+01  0.302951D+01
      6   0.168108D+02  0.865037D+01 -0.263618D+01  0.100380D+02 -0.565759D+00
                51            52            53            54            55 
      1  -0.972671D+01  0.691924D+00 -0.628116D+01  0.113436D+02  0.178756D+01
      2  -0.808361D+00  0.452087D+01  0.310724D+01  0.131505D+02 -0.327867D+01
      3   0.105351D+02 -0.521279D+01  0.317392D+01 -0.244941D+02  0.149111D+01
      4   0.101751D+01  0.704554D+01 -0.378306D+01 -0.817186D+01 -0.509559D+01
      5  -0.387369D+01  0.109479D+02 -0.581753D+01 -0.276484D+01 -0.146595D+02
      6   0.710634D+01 -0.528164D+01  0.761579D+01  0.395842D+01 -0.261424D+01
                56            57            58            59            60 
      1   0.359944D+00 -0.545084D+01  0.645206D+00 -0.151960D+01  0.573296D+01
      2  -0.387900D+01  0.239783D+01 -0.416971D+01 -0.500156D+00 -0.194642D+01
      3   0.351905D+01  0.305301D+01  0.352451D+01  0.201975D+01 -0.378654D+01
      4  -0.152955D+01 -0.460520D+01 -0.704183D+01 -0.929656D+01  0.290680D+01
      5  -0.642660D+01 -0.811017D+00  0.128677D+01  0.908378D+00  0.261382D+01
      6  -0.308253D+01 -0.235278D+01 -0.484591D+01 -0.243638D+01 -0.491380D-01
                61            62            63            64            65 
      1  -0.116806D+02  0.351140D+01 -0.407755D+00 -0.259974D+00  0.560187D+01
      2   0.574227D+01 -0.255564D+01 -0.321012D+01  0.802204D+01  0.883227D+01
      3   0.593834D+01 -0.955765D+00  0.361788D+01 -0.776207D+01 -0.144341D+02
      4  -0.173219D+01  0.635574D+01  0.236843D+01  0.110204D+02  0.143117D+02
      5  -0.155667D-01  0.164566D+01  0.827907D-01  0.776013D+01  0.159476D+02
      6  -0.571289D+01 -0.747473D+00 -0.141207D+01  0.243984D+00  0.896230D+01
                66            67            68            69            70 
      1  -0.615615D+01  0.427765D+01  0.122307D+02  0.110133D+02  0.570770D+00
      2   0.439212D+01  0.779704D+01 -0.503491D+01 -0.128665D+02  0.164313D+01
      3   0.176403D+01 -0.120747D+02 -0.719583D+01  0.185321D+01 -0.221389D+01
      4   0.137952D+02  0.161230D+02  0.199773D+02 -0.360168D+01  0.192691D+02
      5  -0.173741D+02  0.759496D+01 -0.714523D+01 -0.316618D+00 -0.154427D+02
      6  -0.100961D+02  0.594047D+01 -0.568997D+01 -0.206896D+01 -0.122864D+02
                71            72            73            74            75 
      1   0.217245D+02 -0.127755D+02 -0.124280D+02  0.203199D+02  0.168041D+02
      2  -0.177984D+02  0.911591D+01  0.170229D+01 -0.913116D+01 -0.935619D+01
      3  -0.392609D+01  0.365960D+01  0.107257D+02 -0.111887D+02 -0.744793D+01
      4  -0.200412D+01 -0.594028D+01  0.271244D+02 -0.209118D+01  0.416843D+01
      5  -0.293711D+01  0.811828D+01  0.229605D+02  0.484558D+01  0.141904D+02
      6  -0.469937D+01  0.340791D+01  0.623754D+01  0.546513D+00  0.370288D+01
                76            77            78            79            80 
      1   0.316879D+02  0.649258D+01  0.116078D+01  0.289817D+02 -0.327655D+01
      2  -0.147767D+02 -0.651682D+01  0.283149D+01 -0.124828D+02  0.547963D+01
      3  -0.169112D+02  0.242360D-01 -0.399227D+01 -0.164989D+02 -0.220308D+01
      4   0.800838D+01 -0.129874D+02  0.160592D+02 -0.285097D+01  0.115007D+02
      5   0.635039D+01  0.181616D+02 -0.109190D+02  0.850005D+01 -0.757268D+01
      6  -0.451722D+00 -0.302021D+01  0.160255D+01  0.241608D+01  0.172782D+01
                81            82            83            84            85 
      1   0.180769D+02  0.347478D+01 -0.356465D+01  0.193608D+01 -0.288750D+01
      2   0.297880D+01  0.472814D+01  0.112227D+02 -0.308843D+01  0.114133D+02
      3  -0.210557D+02 -0.820292D+01 -0.765807D+01  0.115235D+01 -0.852582D+01
      4  -0.618624D+01  0.107648D+02  0.187697D+02 -0.354837D+01  0.168178D+02
      5  -0.154305D+02 -0.237529D+01 -0.503982D+01  0.368237D+01 -0.570117D+01
      6  -0.383833D+01 -0.255159D+01 -0.768700D+01  0.360121D+01 -0.847400D+01
                86            87            88            89            90 
      1  -0.244099D+02  0.717397D+01  0.290419D+01  0.830225D+00 -0.588333D+01
      2   0.469912D+02 -0.730087D+01 -0.905328D+00  0.387665D+01  0.217769D+01
      3  -0.225813D+02  0.126903D+00 -0.199886D+01 -0.470688D+01  0.370564D+01
      4   0.324834D+02 -0.787012D+01  0.184651D+01  0.109220D+01  0.358918D+01
      5  -0.890742D+01  0.518528D+01  0.146715D+01  0.327379D+01 -0.226599D+01
      6  -0.222259D+02  0.116918D+02  0.188343D+01  0.708607D+01 -0.398281D+01
                91            92            93            94            95 
      1  -0.379490D+00 -0.131674D+00 -0.523810D+01 -0.286713D+01 -0.402055D+01
      2  -0.251911D+01  0.120208D+01 -0.354928D+01  0.229744D+01  0.166175D+01
      3   0.289860D+01 -0.107041D+01  0.878738D+01  0.569687D+00  0.235879D+01
      4  -0.972043D+00  0.206152D+01 -0.141022D+01  0.269073D+01  0.198039D+01
      5   0.195522D+01 -0.335903D+00  0.513773D+01  0.177293D+01 -0.196192D+01
      6   0.547417D+00  0.157457D+00 -0.363050D+01 -0.158519D+01 -0.928539D+00
                96            97            98            99           100 
      1  -0.429364D+01 -0.246077D+01  0.583452D+01 -0.334844D+02  0.677913D+01
      2  -0.659648D+01 -0.625114D-01 -0.225039D+01 -0.223192D+02 -0.584320D+01
      3   0.108901D+02  0.252328D+01 -0.358413D+01  0.558036D+02 -0.935929D+00
      4  -0.196311D+01 -0.158463D+01 -0.307862D+01  0.835459D+00  0.291899D+01
      5  -0.247940D+01  0.539431D+01  0.143038D+01 -0.109428D+02  0.413996D+01
      6   0.542308D+01 -0.391334D+00  0.872058D+01 -0.169588D+02 -0.221518D+00
               101           102           103           104           105 
      1   0.216106D+01  0.669702D+01  0.429263D+01 -0.258464D+01  0.304207D+01
      2  -0.113433D+01 -0.217891D+01 -0.222386D+01  0.167582D+00  0.501537D+00
      3  -0.102674D+01 -0.451811D+01 -0.206877D+01  0.241705D+01 -0.354360D+01
      4   0.687406D+00  0.460987D+00  0.332468D+01 -0.292166D+01  0.281847D+01
      5   0.126519D+01  0.374289D+01  0.770069D+00  0.269983D+01 -0.479211D+01
      6  -0.813877D+00  0.414161D+00  0.182790D+01 -0.225367D+01  0.698231D+01
               106           107           108           109           110 
      1   0.643501D+01  0.176672D+01 -0.124016D+02  0.821451D+02  0.204052D+02
      2  -0.114112D+02  0.621939D+00 -0.229564D+02 -0.402188D+02 -0.955553D+01
      3   0.497621D+01 -0.238866D+01  0.353580D+02 -0.419263D+02 -0.108496D+02
      4  -0.115824D+01  0.616916D+01 -0.298655D+01  0.242953D+02  0.155070D+02
      5   0.201563D+02 -0.369416D+01  0.488025D+02  0.693062D+01  0.265196D+01
      6  -0.202076D+01  0.578132D+01 -0.732140D+01  0.303663D+01  0.161266D+01
               111           112           113           114           115 
      1   0.221489D+01  0.332327D+02  0.121663D+02  0.131090D+01 -0.150606D+02
      2  -0.252565D+01 -0.146022D+02 -0.281822D+01 -0.163488D+01  0.607170D+01
      3   0.310759D+00 -0.186305D+02 -0.934805D+01  0.323985D+00  0.898888D+01
      4   0.176909D+01  0.186160D+02  0.116297D+02 -0.743244D+00 -0.346359D+01
      5   0.997792D+01  0.426982D+01 -0.871306D+00  0.438932D+01  0.118437D+02
      6   0.719071D+00  0.185320D+01  0.903949D+00  0.172090D+01  0.445039D+00
               116           117           118           119           120 
      1  -0.268075D+01  0.656719D+01 -0.340911D+01 -0.990649D+01  0.238814D+01
      2   0.994091D+00 -0.570370D+01  0.391325D+01  0.143906D+02 -0.269896D+01
      3   0.168666D+01 -0.863492D+00 -0.504134D+00 -0.448407D+01  0.310818D+00
      4  -0.512621D+01  0.239452D+01  0.252716D+01 -0.290344D+01  0.195825D+01
      5   0.243433D+01  0.200555D+01 -0.474644D+00  0.320820D+01  0.412245D+00
      6   0.168707D+01 -0.819388D+00 -0.161799D+01 -0.304195D+01  0.172644D+01
               121           122           123           124           125 
      1  -0.588209D+01 -0.264523D+02  0.504162D+01  0.348088D+01  0.111270D+02
      2   0.492946D+01  0.412114D+02 -0.690097D+01 -0.273005D+01 -0.130031D+02
      3   0.952635D+00 -0.147591D+02  0.185935D+01 -0.750836D+00  0.187612D+01
      4   0.413904D+01 -0.206230D+02  0.164725D+01  0.117166D+01  0.508088D+01
      5   0.205896D+01  0.303708D+01 -0.536177D+01  0.376109D+01 -0.511054D+01
      6  -0.152252D+01 -0.660012D+01  0.734381D+01 -0.876946D+00  0.957639D+01
               126           127           128           129           130 
      1  -0.436570D+01  0.174836D+02 -0.490733D+01 -0.727510D+01 -0.252494D+00
      2   0.447455D+01 -0.107370D+02  0.197513D+01  0.502110D+01 -0.153632D+01
      3  -0.108846D+00 -0.674666D+01  0.293220D+01  0.225400D+01  0.178881D+01
      4  -0.414501D+01 -0.149038D+02  0.116720D+02  0.124875D+02  0.100710D+02
      5   0.203802D+01 -0.185105D+02  0.114136D+02  0.201532D+02  0.641658D+01
      6  -0.466994D+01  0.890049D+01 -0.743422D+01 -0.953775D+01 -0.618531D+01
               131           132           133           134           135 
      1  -0.214200D+01  0.736722D+00 -0.123169D+02  0.292005D+01  0.397436D+01
      2   0.575886D+01  0.159383D+01  0.892396D+01 -0.524415D+00 -0.105151D+02
      3  -0.361686D+01 -0.233056D+01  0.339298D+01 -0.239563D+01  0.654070D+01
      4  -0.137088D+02 -0.959238D+01  0.185884D+02 -0.167487D+02 -0.174650D+02
      5  -0.920389D+01 -0.691534D+01  0.246682D+02 -0.162824D+02 -0.314477D+02
      6   0.741758D+01  0.868214D+01 -0.135370D+02  0.140389D+02  0.187487D+02
               136           137           138           139           140 
      1  -0.380665D+00  0.131010D+00 -0.524329D+01  0.286857D+01 -0.402102D+01
      2  -0.251918D+01 -0.120051D+01 -0.355511D+01 -0.229572D+01  0.166004D+01
      3   0.289985D+01  0.106950D+01  0.879841D+01 -0.572853D+00  0.236098D+01
      4   0.972416D+00  0.206007D+01  0.140936D+01  0.269068D+01 -0.197876D+01
      5   0.195911D+01  0.335303D+00  0.513680D+01 -0.177282D+01 -0.196140D+01
      6  -0.547770D+00  0.158322D+00  0.363164D+01 -0.158498D+01  0.925788D+00
               141           142           143           144           145 
      1   0.429848D+01 -0.246539D+01 -0.582808D+01 -0.334830D+02  0.347519D+01
      2   0.659736D+01 -0.673386D-01  0.225208D+01 -0.223186D+02  0.472690D+01
      3  -0.108958D+02  0.253273D+01  0.357601D+01  0.558015D+02 -0.820209D+01
      4  -0.196311D+01  0.158322D+01 -0.307672D+01 -0.831919D+00 -0.107658D+02
      5   0.247852D+01  0.539136D+01 -0.142785D+01 -0.109298D+02 -0.237894D+01
      6   0.542410D+01  0.394506D+00  0.871646D+01  0.169413D+02  0.255546D+01
               146           147           148           149           150 
      1   0.356532D+01  0.193635D+01  0.288701D+01 -0.244059D+02 -0.717839D+01
      2  -0.112195D+02 -0.308948D+01 -0.114081D+02  0.469729D+02  0.730571D+01
      3   0.765420D+01  0.115313D+01  0.852104D+01 -0.225670D+02 -0.127321D+00
      4   0.187678D+02  0.355252D+01  0.168142D+02 -0.324731D+02 -0.787488D+01
      5   0.504368D+01  0.368424D+01  0.570432D+01 -0.891234D+01 -0.518829D+01
      6  -0.769082D+01 -0.360406D+01 -0.847828D+01  0.222359D+02  0.116973D+02
               151           152           153           154           155 
      1   0.290309D+01 -0.835629D+00 -0.588538D+01 -0.340413D+01  0.989543D+01
      2  -0.907251D+00 -0.386706D+01  0.217718D+01  0.390692D+01 -0.143746D+02
      3  -0.199584D+01  0.470268D+01  0.370819D+01 -0.502798D+00  0.447919D+01
      4  -0.184266D+01  0.108432D+01 -0.358972D+01 -0.252586D+01 -0.289889D+01
      5   0.146737D+01 -0.327483D+01 -0.226792D+01 -0.474378D+00 -0.320873D+01
      6  -0.188455D+01  0.708865D+01  0.398692D+01  0.162051D+01 -0.304840D+01
               156           157           158           159           160 
      1   0.239311D+01  0.587501D+01 -0.264433D+02 -0.505236D+01  0.348457D+01
      2  -0.270335D+01 -0.491940D+01  0.411994D+02  0.691446D+01 -0.273148D+01
      3   0.310232D+00 -0.955611D+00 -0.147561D+02 -0.186209D+01 -0.753095D+00
      4  -0.195855D+01  0.414371D+01  0.206313D+02  0.165651D+01 -0.116779D+01
      5   0.411447D+00 -0.205749D+01  0.304623D+01  0.536556D+01  0.376039D+01
      6  -0.172739D+01 -0.152306D+01  0.662099D+01  0.735038D+01  0.876720D+00
               161           162           163           164           165 
      1  -0.111387D+02 -0.437415D+01  0.174647D+02  0.490196D+01 -0.726692D+01
      2   0.130176D+02  0.448121D+01 -0.107238D+02 -0.196957D+01  0.501078D+01
      3  -0.187890D+01 -0.107060D+00 -0.674095D+01 -0.293239D+01  0.225614D+01
      4   0.509464D+01  0.415158D+01  0.148949D+02  0.116719D+02 -0.124854D+02
      5   0.511786D+01  0.204565D+01 -0.184944D+02 -0.114123D+02  0.201401D+02
      6   0.958673D+01  0.468125D+01 -0.889643D+01 -0.743381D+01  0.953356D+01
               166           167           168           169           170 
      1   0.252542D+00 -0.214522D+01 -0.736259D+00 -0.123096D+02 -0.291589D+01
      2   0.153843D+01  0.576509D+01 -0.159470D+01  0.891354D+01  0.519749D+00
      3  -0.179097D+01 -0.361988D+01  0.233096D+01  0.339608D+01  0.239614D+01
      4   0.100746D+02  0.137190D+02 -0.959495D+01 -0.185886D+02 -0.167550D+02
      5  -0.641888D+01 -0.920616D+01  0.692072D+01  0.246576D+02  0.162884D+02
      6  -0.618729D+01 -0.742248D+01  0.868722D+01  0.135365D+02  0.140469D+02
               171           172           173           174           175 
      1   0.396256D+01  0.678645D+01 -0.216528D+01  0.669367D+01 -0.429592D+01
      2  -0.105032D+02 -0.584914D+01  0.113612D+01 -0.218490D+01  0.222611D+01
      3   0.654068D+01 -0.937309D+00  0.102916D+01 -0.450877D+01  0.206980D+01
      4   0.174696D+02 -0.292069D+01  0.690878D+00 -0.460842D+00  0.332705D+01
      5  -0.314454D+02  0.414630D+01 -0.126449D+01  0.375694D+01 -0.772281D+00
      6  -0.187560D+02  0.220516D+00 -0.811859D+00 -0.411096D+00  0.182928D+01
               176           177           178           179           180 
      1  -0.258044D+01 -0.303500D+01  0.643792D+01 -0.176010D+01 -0.123822D+02
      2   0.164999D+00 -0.499961D+00 -0.114216D+02 -0.619001D+00 -0.229688D+02
      3   0.241544D+01  0.353496D+01  0.498367D+01  0.237910D+01  0.353509D+02
      4   0.291839D+01  0.281907D+01  0.115468D+01  0.617013D+01  0.297440D+01
      5   0.270060D+01  0.477957D+01  0.201775D+02  0.368207D+01  0.488237D+02
      6   0.224805D+01  0.697873D+01  0.201760D+01  0.577831D+01  0.730317D+01
               181           182           183           184           185 
      1   0.821332D+02 -0.204096D+02  0.219038D+01 -0.332316D+02  0.121677D+02
      2  -0.402089D+02  0.955607D+01 -0.251242D+01  0.145992D+02 -0.281773D+01
      3  -0.419243D+02  0.108535D+02  0.322043D+00  0.186324D+02 -0.934996D+01
      4  -0.243024D+02  0.155099D+02 -0.176093D+01  0.186201D+02 -0.116313D+02
      5   0.689554D+01 -0.264293D+01  0.997440D+01 -0.425470D+01 -0.878464D+00
      6  -0.303101D+01  0.161049D+01 -0.718388D+00  0.184869D+01 -0.900380D+00
               186           187           188           189 
      1  -0.130180D+01 -0.150917D+02  0.268964D+01  0.657159D+01
      2   0.163077D+01  0.608809D+01 -0.997815D+00 -0.570526D+01
      3  -0.328961D+00  0.900358D+01 -0.169183D+01 -0.866331D+00
      4  -0.749758D+00  0.347481D+01 -0.513413D+01 -0.239850D+01
      5  -0.438963D+01  0.118480D+02 -0.243811D+01  0.199410D+01
      6   0.172079D+01 -0.445431D+00  0.168700D+01  0.819868D+00
 Leave Link  716 at Thu Jul 22 18:54:09 2021, MaxMem=  5637144576 cpu:               0.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.124495D+03 -0.309145D-03  0.152344D+01
      2  -0.309145D-03  0.100260D+03  0.110422D-03
      3   0.152344D+01  0.110422D-03  0.948415D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.867764D+01 -0.388315D-03  0.174024D+01
      2  -0.170777D-02 -0.283789D+01  0.371937D-02
      3   0.275760D+02 -0.521694D-03 -0.371231D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.179419D-01 -0.273259D+02 -0.373805D-02
      2   0.557136D-02 -0.767358D+01 -0.112538D-01
      3   0.123706D-01  0.349994D+02  0.149919D-01
      4  -0.291817D+02 -0.124647D-02 -0.106637D+01
      5  -0.293967D-02  0.217310D+01  0.129170D-01
      6  -0.229479D+01 -0.133376D-01  0.174703D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    63 ND12= 1 LenFil=    2271:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.403857D+01  0.341038D+01 -0.584458D+01 -0.125020D+01 -0.362353D+01
      2   0.341038D+01 -0.468139D+01  0.103341D+01 -0.362353D+01 -0.281112D+01
      3  -0.584458D+01  0.103341D+01  0.303560D+01  0.215130D+01 -0.133914D+01
                 6             7             8             9            10 
      1   0.215130D+01 -0.225665D+01 -0.124098D+01  0.195211D+01 -0.712908D-01
      2  -0.133914D+01 -0.124098D+01 -0.284663D+01  0.244672D+01  0.867532D+00
      3   0.350736D+01  0.195211D+01  0.244672D+01  0.304236D+01 -0.155218D+01
                11            12            13            14            15 
      1   0.867532D+00 -0.155218D+01  0.295319D+01 -0.987513D+00 -0.322320D+01
      2   0.161907D+00  0.534518D+00 -0.987513D+00  0.121472D+01  0.141642D+01
      3   0.534518D+00 -0.420137D-01 -0.322320D+01  0.141642D+01 -0.151063D+01
                16            17            18            19            20 
      1  -0.598727D+01 -0.120371D+01  0.161778D+01 -0.131445D-02 -0.748055D+00
      2  -0.120371D+01  0.315889D+01 -0.116960D+01 -0.748055D+00 -0.202982D-04
      3   0.161778D+01 -0.116960D+01 -0.322030D-01 -0.472646D-04  0.155400D+00
                21            22            23            24            25 
      1  -0.472646D-04  0.199037D+01 -0.199992D-02  0.376675D+01  0.896305D-03
      2   0.155400D+00 -0.199992D-02  0.100409D+01  0.873275D-04  0.560407D+01
      3   0.146326D-03  0.376675D+01  0.873275D-04 -0.232733D+01  0.226063D-02
                26            27            28            29            30 
      1   0.560407D+01  0.226063D-02  0.396279D+00 -0.379411D+01  0.319087D+01
      2   0.393682D-03 -0.114606D+01 -0.379411D+01 -0.280989D+00 -0.396386D+00
      3  -0.114606D+01 -0.140817D-02  0.319087D+01 -0.396386D+00  0.226159D+01
                31            32            33            34            35 
      1  -0.664294D+01  0.256477D+01 -0.244154D+00  0.470818D+01  0.152911D+01
      2   0.256477D+01  0.227390D+01  0.333401D+01  0.152911D+01  0.211319D+01
      3  -0.244154D+00  0.333401D+01  0.261197D+01  0.619180D+00  0.175950D+01
                36            37            38            39            40 
      1   0.619180D+00  0.159052D+01 -0.307821D+01  0.869726D+00 -0.237487D+01
      2   0.175950D+01 -0.307821D+01  0.331997D+01 -0.359773D+01  0.262051D+01
      3  -0.351252D+01  0.869726D+00 -0.359773D+01 -0.368075D+01 -0.114345D+01
                41            42            43            44            45 
      1   0.262051D+01 -0.114345D+01  0.288315D+01 -0.458251D+01 -0.302978D+01
      2  -0.193630D+01 -0.239398D+01 -0.458251D+01 -0.233901D+01  0.474698D-01
      3  -0.239398D+01 -0.530400D+00 -0.302978D+01  0.474698D-01  0.702039D+00
                46            47            48            49            50 
      1  -0.403776D+01  0.340757D+01  0.584418D+01 -0.125045D+01  0.362418D+01
      2   0.340757D+01  0.468075D+01  0.103486D+01  0.362418D+01 -0.281235D+01
      3   0.584418D+01  0.103486D+01 -0.303785D+01  0.215326D+01  0.133618D+01
                51            52            53            54            55 
      1   0.215326D+01  0.225484D+01 -0.124010D+01 -0.195481D+01  0.775141D-01
      2   0.133618D+01 -0.124010D+01  0.284359D+01  0.244786D+01  0.867680D+00
      3   0.350729D+01 -0.195481D+01  0.244786D+01 -0.303845D+01  0.155267D+01
                56            57            58            59            60 
      1   0.867680D+00  0.155267D+01  0.295133D+01  0.988931D+00 -0.322243D+01
      2  -0.162581D+00  0.534151D+00  0.988931D+00  0.121765D+01 -0.141467D+01
      3   0.534151D+00  0.422445D-01 -0.322243D+01 -0.141467D+01 -0.151058D+01
                61            62            63            64            65 
      1   0.598810D+01 -0.120355D+01 -0.162007D+01 -0.159253D+01 -0.308201D+01
      2  -0.120355D+01 -0.315742D+01 -0.117130D+01 -0.308201D+01 -0.331597D+01
      3  -0.162007D+01 -0.117130D+01  0.309530D-01 -0.868880D+00 -0.359942D+01
                66            67            68            69            70 
      1  -0.868880D+00 -0.237646D+01 -0.261715D+01 -0.114495D+01 -0.288229D+01
      2  -0.359942D+01 -0.261715D+01 -0.193851D+01  0.239496D+01 -0.458329D+01
      3   0.367757D+01 -0.114495D+01  0.239496D+01 -0.527289D+00  0.302764D+01
                71            72            73            74            75 
      1  -0.458329D+01  0.302764D+01 -0.403493D+00 -0.379298D+01 -0.319339D+01
      2   0.234022D+01  0.521883D-01 -0.379298D+01  0.281778D+00 -0.393890D+00
      3   0.521883D-01 -0.706153D+00 -0.319339D+01 -0.393890D+00 -0.225823D+01
                76            77            78            79            80 
      1  -0.664112D+01 -0.256545D+01 -0.242492D+00 -0.471089D+01  0.153095D+01
      2  -0.256545D+01  0.227702D+01 -0.333411D+01  0.153095D+01 -0.211375D+01
      3  -0.242492D+00 -0.333411D+01  0.260837D+01 -0.614344D+00  0.175648D+01
                81            82            83            84            85 
      1  -0.614344D+00  0.167169D+01  0.158956D+01 -0.176099D+00  0.308205D+01
      2   0.175648D+01  0.158956D+01  0.345959D+01 -0.904565D+00  0.319541D+01
      3   0.351698D+01 -0.176099D+00 -0.904565D+00  0.354967D+00 -0.102781D+01
                86            87            88            89            90 
      1   0.319541D+01 -0.102781D+01  0.113201D+01 -0.186525D-01  0.224071D+00
      2   0.997479D+01 -0.222026D+01 -0.186525D-01  0.511080D+00  0.118141D+01
      3  -0.222026D+01  0.181301D+01  0.224071D+00  0.118141D+01 -0.124069D+01
                91            92            93            94            95 
      1  -0.969477D+00 -0.811253D-01 -0.243811D+00 -0.104166D+01  0.588396D+00
      2  -0.811253D-01  0.229625D+00  0.375075D-01  0.588396D+00  0.472366D+00
      3  -0.243811D+00  0.375075D-01 -0.178867D+01 -0.304089D+00 -0.115550D+01
                96            97            98            99           100 
      1  -0.304089D+00 -0.171767D+01  0.618327D-01 -0.210033D+00  0.916914D+00
      2  -0.115550D+01  0.618327D-01 -0.157328D+01  0.113480D+01  0.636611D+00
      3  -0.195558D+01 -0.210033D+00  0.113480D+01 -0.105470D+02  0.767742D+00
               101           102           103           104           105 
      1   0.636611D+00  0.767742D+00  0.658612D+00  0.323443D+00  0.202186D+00
      2  -0.247481D+00  0.289545D+00  0.323443D+00 -0.592099D+00  0.594315D+00
      3   0.289545D+00 -0.477279D+00  0.202186D+00  0.594315D+00 -0.105740D+01
               106           107           108           109           110 
      1   0.260817D+01 -0.342495D+00  0.288911D+01  0.111964D+02  0.294740D+01
      2  -0.342495D+00  0.117269D+01 -0.802736D+00  0.294740D+01  0.181647D+01
      3   0.288911D+01 -0.802736D+00  0.966330D+01  0.573748D+00  0.211182D+00
               111           112           113           114           115 
      1   0.573748D+00  0.547878D+01  0.197291D+01  0.255191D+00 -0.222174D+01
      2   0.211182D+00  0.197291D+01  0.137550D+01 -0.185929D+00 -0.399560D+00
      3   0.108809D+01  0.255191D+00 -0.185929D+00  0.627975D+00  0.145200D+01
               116           117           118           119           120 
      1  -0.399560D+00  0.145200D+01 -0.116687D+01 -0.508066D+00  0.588750D-01
      2  -0.935796D+00  0.239895D+00 -0.508066D+00 -0.296473D+01  0.100352D+01
      3   0.239895D+00  0.495585D+00  0.588750D-01  0.100352D+01 -0.308271D+00
               121           122           123           124           125 
      1  -0.125136D+01 -0.354777D+00  0.409524D+00  0.760433D+00  0.771208D+00
      2  -0.354777D+00 -0.789951D+01  0.110057D+01  0.771208D+00  0.240653D+01
      3   0.409524D+00  0.110057D+01 -0.127466D+01  0.343955D+00 -0.154062D+01
               126           127           128           129           130 
      1   0.343955D+00  0.348684D+01 -0.161475D+01 -0.228947D+01 -0.605989D+00
      2  -0.154062D+01 -0.161475D+01  0.136955D+01  0.171113D+01  0.125652D+01
      3   0.900991D+00 -0.228947D+01  0.171113D+01  0.285755D+01  0.104057D+01
               131           132           133           134           135 
      1   0.125652D+01  0.104057D+01 -0.433435D+01  0.262337D+01  0.361351D+01
      2  -0.257391D+01 -0.145329D+01  0.262337D+01 -0.276389D+01 -0.272347D+01
      3  -0.145329D+01 -0.106810D+01  0.361351D+01 -0.272347D+01 -0.533711D+01
               136           137           138           139           140 
      1   0.970777D+00 -0.810847D-01  0.243936D+00 -0.104209D+01 -0.588127D+00
      2  -0.810847D-01 -0.229163D+00  0.374272D-01 -0.588127D+00  0.471622D+00
      3   0.243936D+00  0.374272D-01  0.179089D+01 -0.304600D+00  0.115591D+01
               141           142           143           144           145 
      1  -0.304600D+00  0.171743D+01  0.619242D-01  0.212235D+00 -0.167227D+01
      2   0.115591D+01  0.619242D-01  0.157284D+01  0.113302D+01  0.158954D+01
      3  -0.195649D+01  0.212235D+00  0.113302D+01  0.105454D+02  0.176694D+00
               146           147           148           149           150 
      1   0.158954D+01  0.176694D+00  0.308232D+01 -0.319495D+01 -0.102846D+01
      2  -0.345942D+01 -0.905331D+00 -0.319495D+01  0.997242D+01  0.222180D+01
      3  -0.905331D+00 -0.355379D+00 -0.102846D+01  0.222180D+01  0.181370D+01
               151           152           153           154           155 
      1  -0.113082D+01 -0.192067D-01 -0.224020D+00  0.116534D+01 -0.507056D+00
      2  -0.192067D-01 -0.508727D+00  0.118151D+01 -0.507056D+00  0.296168D+01
      3  -0.224020D+00  0.118151D+01  0.124154D+01 -0.592833D-01  0.100437D+01
               156           157           158           159           160 
      1  -0.592833D-01 -0.125083D+01  0.352747D+00  0.409587D+00 -0.761538D+00
      2   0.100437D+01  0.352747D+00 -0.789877D+01 -0.110381D+01  0.770725D+00
      3   0.308681D+00  0.409587D+00 -0.110381D+01 -0.127569D+01 -0.343774D+00
               161           162           163           164           165 
      1   0.770725D+00 -0.343774D+00 -0.348317D+01 -0.161372D+01  0.228762D+01
      2  -0.241064D+01 -0.154272D+01 -0.161372D+01 -0.136970D+01  0.171115D+01
      3  -0.154272D+01 -0.903175D+00  0.228762D+01  0.171115D+01 -0.285554D+01
               166           167           168           169           170 
      1  -0.606545D+00 -0.125729D+01  0.104108D+01  0.433317D+01  0.262383D+01
      2  -0.125729D+01 -0.257578D+01  0.145376D+01  0.262383D+01  0.276532D+01
      3   0.104108D+01  0.145376D+01 -0.106923D+01 -0.361217D+01 -0.272496D+01
               171           172           173           174           175 
      1  -0.361217D+01 -0.918359D+00  0.636918D+00 -0.768146D+00  0.659575D+00
      2  -0.272496D+01  0.636918D+00  0.246736D+00  0.289084D+00 -0.323803D+00
      3   0.533780D+01 -0.768146D+00  0.289084D+00  0.474439D+00  0.202411D+00
               176           177           178           179           180 
      1  -0.323803D+00  0.202411D+00 -0.260973D+01 -0.342059D+00 -0.289226D+01
      2  -0.591285D+00 -0.593997D+00 -0.342059D+00 -0.117247D+01 -0.799981D+00
      3  -0.593997D+00 -0.105461D+01 -0.289226D+01 -0.799981D+00 -0.966420D+01
               181           182           183           184           185 
      1  -0.111943D+02  0.294797D+01 -0.570194D+00  0.547828D+01 -0.197322D+01
      2   0.294797D+01 -0.181662D+01  0.210070D+00 -0.197322D+01  0.137555D+01
      3  -0.570194D+00  0.210070D+00 -0.108778D+01  0.253773D+00  0.186687D+00
               186           187           188           189 
      1   0.253773D+00  0.222656D+01 -0.400909D+00 -0.145260D+01
      2   0.186687D+00 -0.400909D+00  0.936868D+00  0.240610D+00
      3   0.628298D+00 -0.145260D+01  0.240610D+00 -0.494026D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.437957D+01  0.533945D+01 -0.704971D+01  0.571036D+01  0.905884D+01
      2  -0.204272D+01  0.247971D+01  0.184998D+01  0.468492D+01 -0.786484D+01
      3   0.304283D+00  0.481433D+01 -0.720815D+01  0.637571D+01 -0.277878D+01
                 6             7             8             9            10 
      1  -0.828266D+01 -0.347762D+01  0.429169D+01 -0.103684D+02 -0.265684D+00
      2   0.621057D+01 -0.511565D+01  0.227432D+01  0.680057D+01 -0.144981D+01
      3   0.374016D+01 -0.647523D+01  0.257064D+01  0.947693D+00  0.399924D+01
                11            12            13            14            15 
      1   0.124047D+01  0.290965D+01 -0.246932D+01  0.466870D+00 -0.430073D+01
      2  -0.190703D+00  0.429211D+01 -0.219650D+01  0.246587D+01 -0.598241D+01
      3  -0.832572D+01 -0.928617D-01  0.134954D+02 -0.292231D+01 -0.229350D+01
                16            17            18            19            20 
      1  -0.747472D+01  0.411715D+01  0.530111D+00  0.150364D-02 -0.258515D+01
      2  -0.950160D+01  0.194128D+01  0.261792D+00 -0.350204D+01 -0.766555D-03
      3  -0.733297D+00 -0.691376D+01  0.343352D+01 -0.375109D-03 -0.595386D+01
                21            22            23            24            25 
      1  -0.784237D-04  0.348566D+01 -0.500270D-03 -0.487952D+00 -0.133059D-02
      2   0.635154D+01 -0.716861D-04 -0.723093D+00  0.427745D-03 -0.142383D+02
      3   0.191560D-03  0.144622D+02 -0.317208D-02 -0.233683D+00  0.593307D-03
                26            27            28            29            30 
      1   0.361078D+01  0.223983D-02 -0.402188D+01  0.132079D+01  0.857297D-01
      2  -0.386156D-03  0.610058D+00  0.138001D+02  0.253684D+01  0.915366D+01
      3   0.625744D+01  0.235948D-02  0.105228D+02 -0.273498D+01  0.826877D+00
                31            32            33            34            35 
      1  -0.163008D+01  0.449271D+01  0.820939D+00  0.272259D+01  0.513297D+01
      2   0.475906D+01  0.100526D+02  0.872535D+01 -0.600573D+01  0.433530D+01
      3  -0.345163D+01 -0.945433D+01 -0.996090D+01 -0.333317D+01 -0.921837D+01
                36            37            38            39            40 
      1   0.294534D+01  0.193036D+01 -0.893752D+01 -0.442269D+01 -0.499985D+01
      2  -0.134731D+02 -0.620410D+00 -0.802959D+01 -0.645073D+01 -0.494888D+01
      3  -0.714186D+01  0.847506D+01 -0.883672D+01  0.798159D+01  0.134307D+01
                41            42            43            44            45 
      1  -0.503339D+01 -0.311895D+01 -0.660931D+01  0.650889D+01  0.116837D+01
      2  -0.388457D+01 -0.273842D+01 -0.772851D+01 -0.185890D+01 -0.546951D+00
      3  -0.786095D+00  0.102811D+02  0.956002D+01  0.142964D+02  0.703893D+01
                46            47            48            49            50 
      1  -0.438128D+01  0.533816D+01  0.705507D+01  0.570943D+01 -0.905667D+01
      2  -0.204249D+01 -0.247878D+01  0.185168D+01 -0.468461D+01 -0.786242D+01
      3  -0.304840D+00  0.480929D+01  0.720817D+01  0.637183D+01  0.277679D+01
                51            52            53            54            55 
      1  -0.828603D+01  0.348587D+01  0.428586D+01  0.103622D+02  0.265814D+00
      2  -0.621281D+01 -0.511246D+01 -0.227793D+01  0.679879D+01 -0.145055D+01
      3   0.373919D+01  0.647381D+01  0.256964D+01 -0.950252D+00 -0.399828D+01
                56            57            58            59            60 
      1   0.123976D+01 -0.290987D+01 -0.247119D+01 -0.467471D+00 -0.429984D+01
      2   0.191203D+00  0.429227D+01  0.219598D+01  0.246312D+01  0.598192D+01
      3  -0.832670D+01  0.926310D-01  0.134958D+02  0.292744D+01 -0.228935D+01
                61            62            63            64            65 
      1   0.747443D+01  0.411638D+01 -0.528580D+00 -0.192710D+01 -0.893596D+01
      2  -0.949967D+01 -0.193805D+01  0.263858D+00 -0.620865D+00  0.803533D+01
      3   0.734720D+00 -0.691154D+01 -0.343723D+01 -0.848316D+01 -0.881917D+01
                66            67            68            69            70 
      1   0.441889D+01 -0.499877D+01  0.503510D+01 -0.311231D+01  0.660763D+01
      2  -0.644403D+01  0.495197D+01 -0.389021D+01  0.273106D+01 -0.772380D+01
      3  -0.798958D+01  0.135908D+01  0.773310D+00  0.102884D+02 -0.956398D+01
                71            72            73            74            75 
      1   0.651802D+01 -0.117275D+01  0.401984D+01  0.132006D+01 -0.867857D-01
      2   0.184599D+01 -0.534447D+00  0.138027D+02 -0.254359D+01  0.914096D+01
      3   0.143035D+02 -0.702329D+01 -0.105204D+02 -0.273623D+01 -0.819303D+00
                76            77            78            79            80 
      1  -0.162915D+01 -0.449267D+01  0.818135D+00 -0.272519D+01  0.512990D+01
      2  -0.476271D+01  0.100532D+02 -0.871279D+01 -0.602322D+01 -0.432281D+01
      3  -0.345604D+01  0.946704D+01 -0.996338D+01  0.333681D+01 -0.922024D+01
                81            82            83            84            85 
      1  -0.294226D+01 -0.258112D+01 -0.386672D+01 -0.297099D+00 -0.269756D+01
      2  -0.134842D+02  0.193439D+01  0.955308D+00  0.109435D+01  0.278826D+01
      3   0.713135D+01  0.129900D+01 -0.348432D+01  0.872850D+00  0.464823D+01
                86            87            88            89            90 
      1  -0.114475D+02 -0.227564D+01 -0.434834D+00 -0.145180D+01  0.384757D+00
      2   0.181828D+01  0.152693D+01 -0.214294D+00  0.132222D+01 -0.992416D+00
      3  -0.478595D+01  0.590926D+00  0.144468D+01 -0.156496D+00 -0.710811D+00
                91            92            93            94            95 
      1   0.151844D+01 -0.227775D-02  0.326449D+01 -0.367010D+00  0.139904D+01
      2  -0.279325D+01 -0.322385D+00 -0.980992D+00 -0.203273D+01 -0.729812D+00
      3  -0.760036D+00 -0.465508D+00 -0.335780D+00 -0.452000D+00  0.134283D-01
                96            97            98            99           100 
      1   0.339474D+01  0.328012D+00  0.366242D+01  0.142421D+02  0.107768D+01
      2  -0.297381D+01 -0.636125D+01  0.115407D+01 -0.113969D+02  0.245961D+01
      3   0.392522D+00 -0.247397D+01  0.115871D+01 -0.148770D+01 -0.147481D+01
               101           102           103           104           105 
      1   0.253132D-02  0.407133D+00  0.184126D+00 -0.803325D+00 -0.775452D+00
      2   0.337870D+00 -0.150770D+01 -0.366042D+00  0.171202D+01 -0.352512D+01
      3  -0.172159D+00 -0.124244D+01 -0.347663D+00  0.157843D+01 -0.135486D+01
               106           107           108           109           110 
      1   0.102155D-01  0.426793D+01  0.141773D+01  0.353667D+01  0.184747D+01
      2   0.288738D+01 -0.202128D+01  0.274494D+02 -0.704217D+01 -0.143186D+01
      3   0.786662D+00 -0.387816D+01  0.218027D+01 -0.861733D+01 -0.890655D+01
               111           112           113           114           115 
      1  -0.671161D+00  0.231610D+01  0.124534D+01 -0.108613D+01 -0.484242D+00
      2   0.579619D+01 -0.303324D+01 -0.218823D+01  0.258989D+01  0.488731D+01
      3  -0.810533D+00 -0.340122D+01 -0.434870D+01  0.540477D+00  0.922806D+00
               116           117           118           119           120 
      1   0.384137D+00  0.752699D+00  0.100118D+01  0.290238D+01 -0.179168D+01
      2   0.128308D+01  0.424313D+00  0.672255D+00  0.143713D+01 -0.113793D+00
      3   0.271966D+01 -0.701500D+00  0.568923D+01  0.830226D+01 -0.322437D+01
               121           122           123           124           125 
      1   0.517331D+00  0.460103D+01 -0.523484D+01  0.479898D+00 -0.259653D+01
      2   0.678140D+00  0.188543D+01 -0.201861D+01 -0.204794D+00 -0.302941D+01
      3   0.605005D+01  0.213077D+02 -0.357817D+01 -0.398387D+01 -0.784707D+01
               126           127           128           129           130 
      1   0.263760D+01 -0.357804D+01  0.144587D+01  0.474901D+01  0.131186D+01
      2   0.140847D+01 -0.278441D+01  0.357916D+01  0.740115D+01  0.172318D+01
      3   0.382891D+01 -0.156982D+01 -0.227901D+01 -0.119046D+01 -0.367606D+00
               131           132           133           134           135 
      1  -0.836116D+00 -0.260702D+01  0.457762D+01 -0.105511D+01 -0.814812D+01
      2  -0.290447D+01 -0.269787D+01  0.335243D+01 -0.467702D+01 -0.106238D+02
      3   0.532641D+01  0.214142D+01  0.223833D+00  0.413900D+01  0.153783D+01
               136           137           138           139           140 
      1  -0.151944D+01 -0.374102D-03 -0.326736D+01 -0.365900D+00 -0.140042D+01
      2  -0.279685D+01  0.322461D+00 -0.983387D+00  0.203486D+01 -0.730492D+00
      3   0.761088D+00 -0.465046D+00  0.336110D+00 -0.451823D+00 -0.137818D-01
               141           142           143           144           145 
      1   0.339613D+01 -0.331244D+00  0.366516D+01 -0.142375D+02  0.258110D+01
      2   0.297524D+01 -0.636434D+01 -0.115204D+01 -0.113959D+02  0.193509D+01
      3   0.391889D+00  0.247240D+01  0.115716D+01  0.148808D+01 -0.129943D+01
               146           147           148           149           150 
      1  -0.386712D+01  0.296261D+00 -0.269695D+01  0.114460D+02 -0.227273D+01
      2  -0.954939D+00  0.109412D+01 -0.278924D+01  0.181822D+01 -0.152629D+01
      3  -0.348381D+01 -0.873186D+00  0.464793D+01  0.478295D+01  0.590970D+00
               151           152           153           154           155 
      1   0.433509D+00 -0.144807D+01 -0.385583D+00 -0.100098D+01  0.290064D+01
      2  -0.215629D+00 -0.132143D+01 -0.993285D+00  0.674870D+00 -0.143987D+01
      3  -0.144345D+01 -0.154973D+00  0.710955D+00 -0.568141D+01  0.829229D+01
               156           157           158           159           160 
      1   0.179145D+01  0.516653D+00 -0.460105D+01 -0.523715D+01 -0.480105D+00
      2  -0.115343D+00 -0.680415D+00  0.189376D+01  0.202190D+01 -0.206186D+00
      3   0.322735D+01  0.604363D+01 -0.213026D+02 -0.358701D+01  0.398542D+01
               161           162           163           164           165 
      1  -0.260012D+01 -0.264261D+01  0.357618D+01  0.144725D+01 -0.474691D+01
      2   0.303481D+01  0.141302D+01 -0.278362D+01 -0.358044D+01  0.739736D+01
      3  -0.785731D+01 -0.383527D+01  0.156770D+01 -0.228011D+01  0.119334D+01
               166           167           168           169           170 
      1   0.131290D+01  0.837086D+00 -0.260971D+01 -0.457729D+01 -0.105825D+01
      2  -0.172353D+01 -0.290525D+01  0.270018D+01  0.335112D+01  0.468068D+01
      3  -0.368197D+00 -0.532974D+01  0.214147D+01 -0.222132D+00  0.414063D+01
               171           172           173           174           175 
      1   0.815111D+01 -0.107736D+01  0.433548D-02 -0.407502D+00  0.184223D+00
      2  -0.106268D+02  0.245837D+01 -0.336545D+00 -0.149869D+01  0.366598D+00
      3  -0.154240D+01  0.147638D+01 -0.174689D+00  0.124097D+01 -0.348618D+00
               176           177           178           179           180 
      1   0.801940D+00 -0.774594D+00 -0.103269D-01  0.426813D+01 -0.141514D+01
      2   0.171066D+01  0.351692D+01  0.289729D+01  0.201379D+01  0.274524D+02
      3  -0.157644D+01 -0.135371D+01 -0.787311D+00 -0.387876D+01 -0.217275D+01
               181           182           183           184           185 
      1  -0.353546D+01  0.184593D+01  0.673172D+00  0.231570D+01 -0.124483D+01
      2  -0.704682D+01  0.143450D+01  0.579817D+01  0.303496D+01 -0.218974D+01
      3   0.861528D+01 -0.890658D+01  0.806541D+00 -0.340032D+01  0.434826D+01
               186           187           188           189 
      1  -0.108707D+01  0.486281D+00  0.383461D+00 -0.753308D+00
      2  -0.259225D+01  0.489223D+01 -0.128614D+01  0.418597D+00
      3   0.542599D+00 -0.925348D+00  0.272392D+01  0.703172D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.835049D+01  0.155211D+02 -0.566144D+01  0.670034D+01 -0.224356D+01
      2  -0.190324D+01 -0.192178D+02  0.132954D+02 -0.112490D+02 -0.164191D+02
      3   0.102537D+02  0.369661D+01 -0.763396D+01  0.454867D+01  0.186627D+02
      4   0.673585D+01 -0.568337D+01 -0.400195D+01 -0.903059D+01 -0.179627D+02
      5  -0.160066D+02 -0.250229D+01  0.137676D+02  0.170463D+01  0.302093D+01
      6  -0.168189D+02  0.864638D+01  0.263869D+01  0.100320D+02  0.551513D+00
                 6             7             8             9            10 
      1   0.972634D+01  0.682594D+00  0.628180D+01  0.113464D+02  0.180583D+01
      2   0.801198D+00  0.451308D+01 -0.311968D+01  0.131586D+02 -0.328763D+01
      3  -0.105275D+02 -0.519568D+01 -0.316212D+01 -0.245051D+02  0.148180D+01
      4   0.100803D+01 -0.705225D+01 -0.379253D+01  0.817036D+01  0.509203D+01
      5   0.387896D+01  0.109451D+02  0.581843D+01 -0.274914D+01 -0.146554D+02
      6   0.711333D+01  0.528090D+01  0.762134D+01 -0.394545D+01  0.261390D+01
                11            12            13            14            15 
      1  -0.362231D+00 -0.545063D+01 -0.643328D+00 -0.151500D+01 -0.573520D+01
      2   0.388187D+01  0.239575D+01  0.417096D+01 -0.502961D+00  0.194662D+01
      3  -0.351964D+01  0.305488D+01 -0.352763D+01  0.201796D+01  0.378859D+01
      4  -0.153220D+01  0.460532D+01 -0.703953D+01  0.928979D+01  0.291097D+01
      5   0.642853D+01 -0.809344D+00 -0.128362D+01  0.910536D+00 -0.261395D+01
      6  -0.308217D+01  0.235297D+01 -0.484872D+01  0.243999D+01 -0.509682D-01
                16            17            18            19            20 
      1  -0.116759D+02 -0.351011D+01 -0.415330D+00 -0.764429D+01 -0.171749D-02
      2   0.573935D+01  0.255386D+01 -0.320616D+01  0.925934D+01 -0.968500D-03
      3   0.593651D+01  0.956251D+00  0.362149D+01 -0.161505D+01  0.268599D-02
      4   0.173196D+01  0.635954D+01 -0.236160D+01 -0.467948D-02 -0.135718D+01
      5  -0.257698D-01 -0.163904D+01  0.771816D-01  0.181072D+02  0.155475D-02
      6   0.571473D+01 -0.749343D+00  0.141086D+01  0.358047D-02  0.428054D+01
                21            22            23            24            25 
      1   0.154612D+01 -0.163243D-02 -0.190864D+01  0.270720D-02 -0.405844D+01
      2  -0.441897D+01 -0.219104D-02  0.471736D+01 -0.181083D-02  0.392539D+00
      3   0.287286D+01  0.382347D-02 -0.280872D+01 -0.896371D-03  0.366590D+01
      4   0.243560D-02 -0.296231D+01  0.211145D-02  0.177347D+00  0.600928D-02
      5  -0.109180D+02  0.714044D-02  0.517721D+00  0.831939D-03 -0.180821D+02
      6  -0.158817D-03  0.835853D+01  0.255299D-03 -0.205915D+01  0.111546D-02
                26            27            28            29            30 
      1  -0.148672D-03 -0.451504D+01 -0.124667D+02 -0.203213D+02  0.167783D+02
      2   0.105738D-02  0.237032D+01  0.172330D+01  0.913373D+01 -0.934859D+01
      3  -0.908710D-03  0.214472D+01  0.107434D+02  0.111876D+02 -0.742966D+01
      4   0.109626D+01 -0.658065D-03 -0.271286D+02 -0.208585D+01 -0.418319D+01
      5  -0.865573D-03  0.507189D+01  0.229316D+02 -0.486171D+01  0.142056D+02
      6  -0.134674D+01 -0.149243D-02 -0.624505D+01  0.547867D+00 -0.370873D+01
                31            32            33            34            35 
      1  -0.316931D+02  0.649091D+01 -0.117672D+01  0.289533D+02  0.325956D+01
      2   0.147823D+02 -0.651743D+01 -0.282924D+01 -0.124765D+02 -0.547823D+01
      3   0.169108D+02  0.265156D-01  0.400596D+01 -0.164768D+02  0.221867D+01
      4   0.801016D+01  0.129705D+02  0.160589D+02  0.283707D+01  0.114992D+02
      5  -0.636990D+01  0.181614D+02  0.109314D+02  0.852930D+01  0.758405D+01
      6  -0.451013D+00  0.301622D+01  0.160023D+01 -0.242019D+01  0.172623D+01
                36            37            38            39            40 
      1   0.181036D+02 -0.267441D+00 -0.557684D+01 -0.614902D+01 -0.426129D+01
      2   0.295903D+01  0.802064D+01 -0.885817D+01  0.437801D+01 -0.781547D+01
      3  -0.210627D+02 -0.775320D+01  0.144350D+02  0.177101D+01  0.120768D+02
      4   0.619779D+01 -0.110049D+02  0.143172D+02 -0.137898D+02  0.161303D+02
      5  -0.153970D+02  0.777048D+01 -0.159419D+02 -0.173891D+02 -0.759017D+01
      6   0.384638D+01 -0.246344D+00  0.895374D+01  0.101025D+02  0.593338D+01
                41            42            43            44            45 
      1   0.122426D+02 -0.110038D+02  0.578311D+00 -0.217183D+02 -0.128006D+02
      2  -0.504732D+01  0.128574D+02  0.163194D+01  0.177897D+02  0.913499D+01
      3  -0.719531D+01 -0.185356D+01 -0.221025D+01  0.392860D+01  0.366565D+01
      4  -0.199804D+02 -0.360334D+01 -0.192681D+02 -0.200371D+01  0.592605D+01
      5  -0.714560D+01  0.305750D+00 -0.154543D+02  0.291985D+01  0.810490D+01
      6   0.568323D+01 -0.205537D+01  0.122902D+02 -0.468288D+01 -0.339899D+01
                46            47            48            49            50 
      1  -0.835207D+01 -0.155161D+02 -0.565540D+01 -0.670314D+01 -0.223856D+01
      2  -0.191078D+01  0.192108D+02  0.133037D+02  0.112438D+02 -0.164163D+02
      3   0.102628D+02 -0.369466D+01 -0.764825D+01 -0.454071D+01  0.186548D+02
      4  -0.672222D+01 -0.568567D+01  0.399554D+01 -0.903241D+01  0.179614D+02
      5  -0.160036D+02  0.249552D+01  0.137693D+02 -0.171554D+01  0.302951D+01
      6   0.168108D+02  0.865037D+01 -0.263618D+01  0.100380D+02 -0.565759D+00
                51            52            53            54            55 
      1  -0.972671D+01  0.691924D+00 -0.628116D+01  0.113436D+02  0.178756D+01
      2  -0.808361D+00  0.452087D+01  0.310724D+01  0.131505D+02 -0.327867D+01
      3   0.105351D+02 -0.521279D+01  0.317392D+01 -0.244941D+02  0.149111D+01
      4   0.101751D+01  0.704554D+01 -0.378306D+01 -0.817186D+01 -0.509559D+01
      5  -0.387369D+01  0.109479D+02 -0.581753D+01 -0.276484D+01 -0.146595D+02
      6   0.710634D+01 -0.528164D+01  0.761579D+01  0.395842D+01 -0.261424D+01
                56            57            58            59            60 
      1   0.359944D+00 -0.545084D+01  0.645206D+00 -0.151960D+01  0.573296D+01
      2  -0.387900D+01  0.239783D+01 -0.416971D+01 -0.500156D+00 -0.194642D+01
      3   0.351905D+01  0.305301D+01  0.352451D+01  0.201975D+01 -0.378654D+01
      4  -0.152955D+01 -0.460520D+01 -0.704183D+01 -0.929656D+01  0.290680D+01
      5  -0.642660D+01 -0.811017D+00  0.128677D+01  0.908378D+00  0.261382D+01
      6  -0.308253D+01 -0.235278D+01 -0.484591D+01 -0.243638D+01 -0.491380D-01
                61            62            63            64            65 
      1  -0.116806D+02  0.351140D+01 -0.407755D+00 -0.259974D+00  0.560187D+01
      2   0.574227D+01 -0.255564D+01 -0.321012D+01  0.802204D+01  0.883227D+01
      3   0.593834D+01 -0.955765D+00  0.361788D+01 -0.776207D+01 -0.144341D+02
      4  -0.173219D+01  0.635574D+01  0.236843D+01  0.110204D+02  0.143117D+02
      5  -0.155667D-01  0.164566D+01  0.827907D-01  0.776013D+01  0.159476D+02
      6  -0.571289D+01 -0.747473D+00 -0.141207D+01  0.243984D+00  0.896230D+01
                66            67            68            69            70 
      1  -0.615615D+01  0.427765D+01  0.122307D+02  0.110133D+02  0.570770D+00
      2   0.439212D+01  0.779704D+01 -0.503491D+01 -0.128665D+02  0.164313D+01
      3   0.176403D+01 -0.120747D+02 -0.719583D+01  0.185321D+01 -0.221389D+01
      4   0.137952D+02  0.161230D+02  0.199773D+02 -0.360168D+01  0.192691D+02
      5  -0.173741D+02  0.759496D+01 -0.714523D+01 -0.316618D+00 -0.154427D+02
      6  -0.100961D+02  0.594047D+01 -0.568997D+01 -0.206896D+01 -0.122864D+02
                71            72            73            74            75 
      1   0.217245D+02 -0.127755D+02 -0.124280D+02  0.203199D+02  0.168041D+02
      2  -0.177984D+02  0.911591D+01  0.170229D+01 -0.913116D+01 -0.935619D+01
      3  -0.392609D+01  0.365960D+01  0.107257D+02 -0.111887D+02 -0.744793D+01
      4  -0.200412D+01 -0.594028D+01  0.271244D+02 -0.209118D+01  0.416843D+01
      5  -0.293711D+01  0.811828D+01  0.229605D+02  0.484558D+01  0.141904D+02
      6  -0.469937D+01  0.340791D+01  0.623754D+01  0.546513D+00  0.370288D+01
                76            77            78            79            80 
      1   0.316879D+02  0.649258D+01  0.116078D+01  0.289817D+02 -0.327655D+01
      2  -0.147767D+02 -0.651682D+01  0.283149D+01 -0.124828D+02  0.547963D+01
      3  -0.169112D+02  0.242360D-01 -0.399227D+01 -0.164989D+02 -0.220308D+01
      4   0.800838D+01 -0.129874D+02  0.160592D+02 -0.285097D+01  0.115007D+02
      5   0.635039D+01  0.181616D+02 -0.109190D+02  0.850005D+01 -0.757268D+01
      6  -0.451722D+00 -0.302021D+01  0.160255D+01  0.241608D+01  0.172782D+01
                81            82            83            84            85 
      1   0.180769D+02  0.347478D+01 -0.356465D+01  0.193608D+01 -0.288750D+01
      2   0.297880D+01  0.472814D+01  0.112227D+02 -0.308843D+01  0.114133D+02
      3  -0.210557D+02 -0.820292D+01 -0.765807D+01  0.115235D+01 -0.852582D+01
      4  -0.618624D+01  0.107648D+02  0.187697D+02 -0.354837D+01  0.168178D+02
      5  -0.154305D+02 -0.237529D+01 -0.503982D+01  0.368237D+01 -0.570117D+01
      6  -0.383833D+01 -0.255159D+01 -0.768700D+01  0.360121D+01 -0.847400D+01
                86            87            88            89            90 
      1  -0.244099D+02  0.717397D+01  0.290419D+01  0.830225D+00 -0.588333D+01
      2   0.469912D+02 -0.730087D+01 -0.905328D+00  0.387665D+01  0.217769D+01
      3  -0.225813D+02  0.126903D+00 -0.199886D+01 -0.470688D+01  0.370564D+01
      4   0.324834D+02 -0.787012D+01  0.184651D+01  0.109220D+01  0.358918D+01
      5  -0.890742D+01  0.518528D+01  0.146715D+01  0.327379D+01 -0.226599D+01
      6  -0.222259D+02  0.116918D+02  0.188343D+01  0.708607D+01 -0.398281D+01
                91            92            93            94            95 
      1  -0.379490D+00 -0.131674D+00 -0.523810D+01 -0.286713D+01 -0.402055D+01
      2  -0.251911D+01  0.120208D+01 -0.354928D+01  0.229744D+01  0.166175D+01
      3   0.289860D+01 -0.107041D+01  0.878738D+01  0.569687D+00  0.235879D+01
      4  -0.972043D+00  0.206152D+01 -0.141022D+01  0.269073D+01  0.198039D+01
      5   0.195522D+01 -0.335903D+00  0.513773D+01  0.177293D+01 -0.196192D+01
      6   0.547417D+00  0.157457D+00 -0.363050D+01 -0.158519D+01 -0.928539D+00
                96            97            98            99           100 
      1  -0.429364D+01 -0.246077D+01  0.583452D+01 -0.334844D+02  0.677913D+01
      2  -0.659648D+01 -0.625114D-01 -0.225039D+01 -0.223192D+02 -0.584320D+01
      3   0.108901D+02  0.252328D+01 -0.358413D+01  0.558036D+02 -0.935929D+00
      4  -0.196311D+01 -0.158463D+01 -0.307862D+01  0.835459D+00  0.291899D+01
      5  -0.247940D+01  0.539431D+01  0.143038D+01 -0.109428D+02  0.413996D+01
      6   0.542308D+01 -0.391334D+00  0.872058D+01 -0.169588D+02 -0.221518D+00
               101           102           103           104           105 
      1   0.216106D+01  0.669702D+01  0.429263D+01 -0.258464D+01  0.304207D+01
      2  -0.113433D+01 -0.217891D+01 -0.222386D+01  0.167582D+00  0.501537D+00
      3  -0.102674D+01 -0.451811D+01 -0.206877D+01  0.241705D+01 -0.354360D+01
      4   0.687406D+00  0.460987D+00  0.332468D+01 -0.292166D+01  0.281847D+01
      5   0.126519D+01  0.374289D+01  0.770069D+00  0.269983D+01 -0.479211D+01
      6  -0.813877D+00  0.414161D+00  0.182790D+01 -0.225367D+01  0.698231D+01
               106           107           108           109           110 
      1   0.643501D+01  0.176672D+01 -0.124016D+02  0.821451D+02  0.204052D+02
      2  -0.114112D+02  0.621939D+00 -0.229564D+02 -0.402188D+02 -0.955553D+01
      3   0.497621D+01 -0.238866D+01  0.353580D+02 -0.419263D+02 -0.108496D+02
      4  -0.115824D+01  0.616916D+01 -0.298655D+01  0.242953D+02  0.155070D+02
      5   0.201563D+02 -0.369416D+01  0.488025D+02  0.693062D+01  0.265196D+01
      6  -0.202076D+01  0.578132D+01 -0.732140D+01  0.303663D+01  0.161266D+01
               111           112           113           114           115 
      1   0.221489D+01  0.332327D+02  0.121663D+02  0.131090D+01 -0.150606D+02
      2  -0.252565D+01 -0.146022D+02 -0.281822D+01 -0.163488D+01  0.607170D+01
      3   0.310759D+00 -0.186305D+02 -0.934805D+01  0.323985D+00  0.898888D+01
      4   0.176909D+01  0.186160D+02  0.116297D+02 -0.743244D+00 -0.346359D+01
      5   0.997792D+01  0.426982D+01 -0.871306D+00  0.438932D+01  0.118437D+02
      6   0.719071D+00  0.185320D+01  0.903949D+00  0.172090D+01  0.445039D+00
               116           117           118           119           120 
      1  -0.268075D+01  0.656719D+01 -0.340911D+01 -0.990649D+01  0.238814D+01
      2   0.994091D+00 -0.570370D+01  0.391325D+01  0.143906D+02 -0.269896D+01
      3   0.168666D+01 -0.863492D+00 -0.504134D+00 -0.448407D+01  0.310818D+00
      4  -0.512621D+01  0.239452D+01  0.252716D+01 -0.290344D+01  0.195825D+01
      5   0.243433D+01  0.200555D+01 -0.474644D+00  0.320820D+01  0.412245D+00
      6   0.168707D+01 -0.819388D+00 -0.161799D+01 -0.304195D+01  0.172644D+01
               121           122           123           124           125 
      1  -0.588209D+01 -0.264523D+02  0.504162D+01  0.348088D+01  0.111270D+02
      2   0.492946D+01  0.412114D+02 -0.690097D+01 -0.273005D+01 -0.130031D+02
      3   0.952635D+00 -0.147591D+02  0.185935D+01 -0.750836D+00  0.187612D+01
      4   0.413904D+01 -0.206230D+02  0.164725D+01  0.117166D+01  0.508088D+01
      5   0.205896D+01  0.303708D+01 -0.536177D+01  0.376109D+01 -0.511054D+01
      6  -0.152252D+01 -0.660012D+01  0.734381D+01 -0.876946D+00  0.957639D+01
               126           127           128           129           130 
      1  -0.436570D+01  0.174836D+02 -0.490733D+01 -0.727510D+01 -0.252494D+00
      2   0.447455D+01 -0.107370D+02  0.197513D+01  0.502110D+01 -0.153632D+01
      3  -0.108846D+00 -0.674666D+01  0.293220D+01  0.225400D+01  0.178881D+01
      4  -0.414501D+01 -0.149038D+02  0.116720D+02  0.124875D+02  0.100710D+02
      5   0.203802D+01 -0.185105D+02  0.114136D+02  0.201532D+02  0.641658D+01
      6  -0.466994D+01  0.890049D+01 -0.743422D+01 -0.953775D+01 -0.618531D+01
               131           132           133           134           135 
      1  -0.214200D+01  0.736722D+00 -0.123169D+02  0.292005D+01  0.397436D+01
      2   0.575886D+01  0.159383D+01  0.892396D+01 -0.524415D+00 -0.105151D+02
      3  -0.361686D+01 -0.233056D+01  0.339298D+01 -0.239563D+01  0.654070D+01
      4  -0.137088D+02 -0.959238D+01  0.185884D+02 -0.167487D+02 -0.174650D+02
      5  -0.920389D+01 -0.691534D+01  0.246682D+02 -0.162824D+02 -0.314477D+02
      6   0.741758D+01  0.868214D+01 -0.135370D+02  0.140389D+02  0.187487D+02
               136           137           138           139           140 
      1  -0.380665D+00  0.131010D+00 -0.524329D+01  0.286857D+01 -0.402102D+01
      2  -0.251918D+01 -0.120051D+01 -0.355511D+01 -0.229572D+01  0.166004D+01
      3   0.289985D+01  0.106950D+01  0.879841D+01 -0.572853D+00  0.236098D+01
      4   0.972416D+00  0.206007D+01  0.140936D+01  0.269068D+01 -0.197876D+01
      5   0.195911D+01  0.335303D+00  0.513680D+01 -0.177282D+01 -0.196140D+01
      6  -0.547770D+00  0.158322D+00  0.363164D+01 -0.158498D+01  0.925788D+00
               141           142           143           144           145 
      1   0.429848D+01 -0.246539D+01 -0.582808D+01 -0.334830D+02  0.347519D+01
      2   0.659736D+01 -0.673386D-01  0.225208D+01 -0.223186D+02  0.472690D+01
      3  -0.108958D+02  0.253273D+01  0.357601D+01  0.558015D+02 -0.820209D+01
      4  -0.196311D+01  0.158322D+01 -0.307672D+01 -0.831919D+00 -0.107658D+02
      5   0.247852D+01  0.539136D+01 -0.142785D+01 -0.109298D+02 -0.237894D+01
      6   0.542410D+01  0.394506D+00  0.871646D+01  0.169413D+02  0.255546D+01
               146           147           148           149           150 
      1   0.356532D+01  0.193635D+01  0.288701D+01 -0.244059D+02 -0.717839D+01
      2  -0.112195D+02 -0.308948D+01 -0.114081D+02  0.469729D+02  0.730571D+01
      3   0.765420D+01  0.115313D+01  0.852104D+01 -0.225670D+02 -0.127321D+00
      4   0.187678D+02  0.355252D+01  0.168142D+02 -0.324731D+02 -0.787488D+01
      5   0.504368D+01  0.368424D+01  0.570432D+01 -0.891234D+01 -0.518829D+01
      6  -0.769082D+01 -0.360406D+01 -0.847828D+01  0.222359D+02  0.116973D+02
               151           152           153           154           155 
      1   0.290309D+01 -0.835629D+00 -0.588538D+01 -0.340413D+01  0.989543D+01
      2  -0.907251D+00 -0.386706D+01  0.217718D+01  0.390692D+01 -0.143746D+02
      3  -0.199584D+01  0.470268D+01  0.370819D+01 -0.502798D+00  0.447919D+01
      4  -0.184266D+01  0.108432D+01 -0.358972D+01 -0.252586D+01 -0.289889D+01
      5   0.146737D+01 -0.327483D+01 -0.226792D+01 -0.474378D+00 -0.320873D+01
      6  -0.188455D+01  0.708865D+01  0.398692D+01  0.162051D+01 -0.304840D+01
               156           157           158           159           160 
      1   0.239311D+01  0.587501D+01 -0.264433D+02 -0.505236D+01  0.348457D+01
      2  -0.270335D+01 -0.491940D+01  0.411994D+02  0.691446D+01 -0.273148D+01
      3   0.310232D+00 -0.955611D+00 -0.147561D+02 -0.186209D+01 -0.753095D+00
      4  -0.195855D+01  0.414371D+01  0.206313D+02  0.165651D+01 -0.116779D+01
      5   0.411447D+00 -0.205749D+01  0.304623D+01  0.536556D+01  0.376039D+01
      6  -0.172739D+01 -0.152306D+01  0.662099D+01  0.735038D+01  0.876720D+00
               161           162           163           164           165 
      1  -0.111387D+02 -0.437415D+01  0.174647D+02  0.490196D+01 -0.726692D+01
      2   0.130176D+02  0.448121D+01 -0.107238D+02 -0.196957D+01  0.501078D+01
      3  -0.187890D+01 -0.107060D+00 -0.674095D+01 -0.293239D+01  0.225614D+01
      4   0.509464D+01  0.415158D+01  0.148949D+02  0.116719D+02 -0.124854D+02
      5   0.511786D+01  0.204565D+01 -0.184944D+02 -0.114123D+02  0.201401D+02
      6   0.958673D+01  0.468125D+01 -0.889643D+01 -0.743381D+01  0.953356D+01
               166           167           168           169           170 
      1   0.252542D+00 -0.214522D+01 -0.736259D+00 -0.123096D+02 -0.291589D+01
      2   0.153843D+01  0.576509D+01 -0.159470D+01  0.891354D+01  0.519749D+00
      3  -0.179097D+01 -0.361988D+01  0.233096D+01  0.339608D+01  0.239614D+01
      4   0.100746D+02  0.137190D+02 -0.959495D+01 -0.185886D+02 -0.167550D+02
      5  -0.641888D+01 -0.920616D+01  0.692072D+01  0.246576D+02  0.162884D+02
      6  -0.618729D+01 -0.742248D+01  0.868722D+01  0.135365D+02  0.140469D+02
               171           172           173           174           175 
      1   0.396256D+01  0.678645D+01 -0.216528D+01  0.669367D+01 -0.429592D+01
      2  -0.105032D+02 -0.584914D+01  0.113612D+01 -0.218490D+01  0.222611D+01
      3   0.654068D+01 -0.937309D+00  0.102916D+01 -0.450877D+01  0.206980D+01
      4   0.174696D+02 -0.292069D+01  0.690878D+00 -0.460842D+00  0.332705D+01
      5  -0.314454D+02  0.414630D+01 -0.126449D+01  0.375694D+01 -0.772281D+00
      6  -0.187560D+02  0.220516D+00 -0.811859D+00 -0.411096D+00  0.182928D+01
               176           177           178           179           180 
      1  -0.258044D+01 -0.303500D+01  0.643792D+01 -0.176010D+01 -0.123822D+02
      2   0.164999D+00 -0.499961D+00 -0.114216D+02 -0.619001D+00 -0.229688D+02
      3   0.241544D+01  0.353496D+01  0.498367D+01  0.237910D+01  0.353509D+02
      4   0.291839D+01  0.281907D+01  0.115468D+01  0.617013D+01  0.297440D+01
      5   0.270060D+01  0.477957D+01  0.201775D+02  0.368207D+01  0.488237D+02
      6   0.224805D+01  0.697873D+01  0.201760D+01  0.577831D+01  0.730317D+01
               181           182           183           184           185 
      1   0.821332D+02 -0.204096D+02  0.219038D+01 -0.332316D+02  0.121677D+02
      2  -0.402089D+02  0.955607D+01 -0.251242D+01  0.145992D+02 -0.281773D+01
      3  -0.419243D+02  0.108535D+02  0.322043D+00  0.186324D+02 -0.934996D+01
      4  -0.243024D+02  0.155099D+02 -0.176093D+01  0.186201D+02 -0.116313D+02
      5   0.689554D+01 -0.264293D+01  0.997440D+01 -0.425470D+01 -0.878464D+00
      6  -0.303101D+01  0.161049D+01 -0.718388D+00  0.184869D+01 -0.900380D+00
               186           187           188           189 
      1  -0.130180D+01 -0.150917D+02  0.268964D+01  0.657159D+01
      2   0.163077D+01  0.608809D+01 -0.997815D+00 -0.570526D+01
      3  -0.328961D+00  0.900358D+01 -0.169183D+01 -0.866331D+00
      4  -0.749758D+00  0.347481D+01 -0.513413D+01 -0.239850D+01
      5  -0.438963D+01  0.118480D+02 -0.243811D+01  0.199410D+01
      6   0.172079D+01 -0.445431D+00  0.168700D+01  0.819868D+00

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.654523D-03      0.166363D-02      0.554928D-02
   x         -0.225010D-04     -0.571917D-04     -0.190771D-03
   y          0.653948D-03      0.166217D-02      0.554440D-02
   z         -0.157066D-04     -0.399221D-04     -0.133166D-03

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.100344D+03      0.148694D+02      0.165444D+02
   aniso      0.242171D+02      0.358861D+01      0.399287D+01
   xx         0.116206D+03      0.172199D+02      0.191597D+02
   yx        -0.255793D-03     -0.379047D-04     -0.421746D-04
   yy         0.947191D+02      0.140359D+02      0.156171D+02
   zx         0.121317D+01      0.179773D+00      0.200024D+00
   zy         0.246040D-03      0.364594D-04      0.405665D-04
   zz         0.901064D+02      0.133524D+02      0.148565D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.106532D+03      0.157864D+02      0.175648D+02
   aniso      0.274767D+02      0.407163D+01      0.453030D+01
   xx         0.124495D+03      0.184482D+02      0.205264D+02
   yx        -0.309145D-03     -0.458106D-04     -0.509712D-04
   yy         0.100260D+03      0.148570D+02      0.165306D+02
   zx         0.152344D+01      0.225750D+00      0.251181D+00
   zy         0.110422D-03      0.163629D-04      0.182062D-04
   zz         0.948415D+02      0.140541D+02      0.156372D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          1.60971765          2.09535044          2.13384642
     6          2.54110098          0.40976533          0.06114975
     6          0.03923479         -0.02527079          1.11222308
     6          4.83707838         -1.07291822         -0.50382410
     6          3.69407583          0.70445291         -2.46629316
     6         -1.45867472         -2.19322439          2.14345246
     6         -2.53102170         -0.41606101          0.22084574
     6         -3.85956152         -0.59666367         -2.23003253
     6         -4.85921930          1.08648272         -0.11242284
     1          2.43261392          1.87711849          3.99773469
     1          1.06346297          4.01098995          1.65049683
     1          4.63986261         -3.08642098         -0.81564957
     1          6.60238006         -0.51354862          0.36734977
     1          2.74471509         -0.13929110         -4.07072456
     1          4.70819114          2.43208515         -2.88493331
     1         -0.95039067         -4.08375492          1.53580510
     1         -2.14824446         -2.06196589          4.06858086
     1         -3.02473668          0.32183639         -3.85689492
     1         -4.90276150         -2.30530289         -2.65510009
     1         -4.68200186          3.11256216         -0.34461179
     1         -6.55948409          0.48421184          0.85428220

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.654523D-03      0.166363D-02      0.554928D-02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.654523D-03      0.166363D-02      0.554928D-02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.100344D+03      0.148694D+02      0.165444D+02
   aniso      0.242171D+02      0.358861D+01      0.399287D+01
   xx         0.116231D+03      0.172237D+02      0.191640D+02
   yx        -0.295500D+00     -0.437885D-01     -0.487213D-01
   yy         0.900558D+02      0.133449D+02      0.148482D+02
   zx        -0.764710D+00     -0.113318D+00     -0.126084D+00
   zy        -0.961984D-01     -0.142551D-01     -0.158610D-01
   zz         0.947438D+02      0.140396D+02      0.156211D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.106532D+03      0.157864D+02      0.175648D+02
   aniso      0.274767D+02      0.407163D+01      0.453030D+01
   xx         0.124534D+03      0.184541D+02      0.205329D+02
   yx        -0.480459D+00     -0.711967D-01     -0.792170D-01
   yy         0.947739D+02      0.140440D+02      0.156261D+02
   zx        -0.866284D+00     -0.128370D+00     -0.142831D+00
   zy        -0.108309D+00     -0.160498D-01     -0.178578D-01
   zz         0.100288D+03      0.148611D+02      0.165352D+02

 ----------------------------------------------------------------------
 1\1\GINC-CPN-U24-15\Freq\RB3LYP\Gen\C9H12\PIERPA\22-Jul-2021\0\\#P B3L
 YP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(NoSymm,Ma
 xCyc=120) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq\\ROA calculation
 s.\\0,1\C,0.850997,1.132902,-1.10565\C,1.349583,0.074712,-0.171197\C,0
 .000033,0.589081,-0.000049\C,2.545757,-0.163361,0.661658\C,2.010439,-1
 .243659,-0.273932\C,-0.8508,1.13255,1.105829\C,-1.349503,0.074646,0.17
 1128\C,-2.010462,-1.243726,0.273569\C,-2.545996,-0.163032,-0.661407\H,
 1.247956,2.136318,-0.998967\H,0.606749,0.844078,-2.122271\H,2.409697,-
 0.307621,1.726593\H,3.473352,0.323369,0.386964\H,1.522142,-2.099447,0.
 175269\H,2.586225,-1.466945,-1.163587\H,-0.606306,0.843541,2.122338\H,
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 WHEN HAVING A MEETING OF THE MINDS,
 MAKE SURE YOU HAVE THE EQUIPMENT FOR IT.
 Job cpu time:       0 days  6 hours 41 minutes 22.9 seconds.
 Elapsed time:       0 days  0 hours 50 minutes 18.7 seconds.
 File lengths (MBytes):  RWF=    477 Int=      0 D2E=      0 Chk=     17 Scr=      2
 Normal termination of Gaussian 16 at Thu Jul 22 18:54:09 2021.
